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N-[cyclopropyl(4-methylpyridin-2-yl)methyl]-3-methyl-1-propyl-1H-pyrazole-4-carboxamide

ChemBase ID: 370088
Molecular Formular: C18H24N4O
Molecular Mass: 312.40936
Monoisotopic Mass: 312.19501141
SMILES and InChIs

SMILES:
c1(C(=O)NC(C2CC2)c2nccc(c2)C)c(nn(c1)CCC)C
Canonical SMILES:
CCCn1nc(c(c1)C(=O)NC(c1nccc(c1)C)C1CC1)C
InChI:
InChI=1S/C18H24N4O/c1-4-9-22-11-15(13(3)21-22)18(23)20-17(14-5-6-14)16-10-12(2)7-8-19-16/h7-8,10-11,14,17H,4-6,9H2,1-3H3,(H,20,23)
InChIKey:
MAKNEOUWWGKEGX-UHFFFAOYSA-N

Cite this record

CBID:370088 http://www.chembase.cn/molecule-370088.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[cyclopropyl(4-methylpyridin-2-yl)methyl]-3-methyl-1-propyl-1H-pyrazole-4-carboxamide
IUPAC Traditional name
N-[cyclopropyl(4-methylpyridin-2-yl)methyl]-3-methyl-1-propylpyrazole-4-carboxamide
Synonyms
N-[cyclopropyl(4-methylpyridin-2-yl)methyl]-3-methyl-1-propyl-1H-pyrazole-4-carboxamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 13.44514  H Acceptors
H Donor LogD (pH = 5.5) 2.5043526 
LogD (pH = 7.4) 2.5792987  Log P 2.5803504 
Molar Refractivity 101.4626 cm3 Polarizability 34.273434 Å3
Polar Surface Area 59.81 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.25  LOG S -2.1 
Polar Surface Area 59.81 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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