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N-[(5-cyclopropyl-1H-pyrazol-3-yl)methyl]-N,1-dimethyl-1H-pyrazolo[1,5-a]imidazole-7-carboxamide

ChemBase ID: 340127
Molecular Formular: C15H18N6O
Molecular Mass: 298.34302
Monoisotopic Mass: 298.15420923
SMILES and InChIs

SMILES:
c1(c2n(nc1)ccn2C)C(=O)N(Cc1n[nH]c(c1)C1CC1)C
Canonical SMILES:
CN(C(=O)c1cnn2c1n(C)cc2)Cc1n[nH]c(c1)C1CC1
InChI:
InChI=1S/C15H18N6O/c1-19-5-6-21-14(19)12(8-16-21)15(22)20(2)9-11-7-13(18-17-11)10-3-4-10/h5-8,10H,3-4,9H2,1-2H3,(H,17,18)
InChIKey:
ZGTKFVDPQLXQGL-UHFFFAOYSA-N

Cite this record

CBID:340127 http://www.chembase.cn/molecule-340127.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[(5-cyclopropyl-1H-pyrazol-3-yl)methyl]-N,1-dimethyl-1H-pyrazolo[1,5-a]imidazole-7-carboxamide
IUPAC Traditional name
N-[(5-cyclopropyl-1H-pyrazol-3-yl)methyl]-N,1-dimethylpyrazolo[1,5-a]imidazole-7-carboxamide
Synonyms
N-[(5-cyclopropyl-1H-pyrazol-3-yl)methyl]-N,1-dimethyl-1H-imidazo[1,2-b]pyrazole-7-carboxamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 14.06792  H Acceptors
H Donor LogD (pH = 5.5) 1.1166724 
LogD (pH = 7.4) 1.1167922  Log P 1.1167938 
Molar Refractivity 93.644 cm3 Polarizability 30.422161 Å3
Polar Surface Area 71.22 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.55  LOG S -1.84 
Polar Surface Area 71.22 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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