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{5-[(5-methyl-1-propyl-1H-pyrazol-4-yl)methyl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl}methanol
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ChemBase ID:
370815
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Molecular Formular:
C15H23N5O
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Molecular Mass:
289.37602
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Monoisotopic Mass:
289.19026038
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SMILES and InChIs
SMILES:
c12c([nH]nc1CO)CCN(C2)Cc1c(n(nc1)CCC)C
Canonical SMILES:
CCCn1ncc(c1C)CN1CCc2c(C1)c(CO)n[nH]2
InChI:
InChI=1S/C15H23N5O/c1-3-5-20-11(2)12(7-16-20)8-19-6-4-14-13(9-19)15(10-21)18-17-14/h7,21H,3-6,8-10H2,1-2H3,(H,17,18)
InChIKey:
YAWVTRQMKIDURY-UHFFFAOYSA-N
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Cite this record
CBID:370815 http://www.chembase.cn/molecule-370815.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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{5-[(5-methyl-1-propyl-1H-pyrazol-4-yl)methyl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl}methanol
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IUPAC Traditional name
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{5-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1H,4H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl}methanol
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Synonyms
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{5-[(5-methyl-1-propyl-1H-pyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}methanol
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
供应商提供(Chembridge)
Acid pKa
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13.238132
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H Acceptors
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4
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H Donor
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2
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LogD (pH = 5.5)
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-0.800499
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LogD (pH = 7.4)
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0.40278822
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Log P
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0.49536172
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Molar Refractivity
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95.8176 cm3
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Polarizability
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31.284914 Å3
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Polar Surface Area
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69.97 Å2
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Rotatable Bonds
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5
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Lipinski's Rule of Five
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true
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H Acceptors
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4
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H Donor
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2
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Log P
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0.05
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LOG S
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-1.66
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Polar Surface Area
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69.97 Å2
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Rotatable Bonds
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5
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent