1-benzyl-N-cyclopropyl-3-pyridin-3-ylpyrazole-4-carboxamide

C19H18N4O — CID 9461304

IUPAC1-benzyl-N-cyclopropyl-3-pyridin-3-ylpyrazole-4-carboxamide
SMILESO=C(NC1CC1)c1cn(Cc2ccccc2)nc1-c1cccnc1
InChIInChI=1S/C19H18N4O/c24-19(21-16-8-9-16)17-13-23(12-14-5-2-1-3-6-14)22-18(17)15-7-4-10-20-11-15/h1-7,10-11,13,16H,8-9,12H2,(H,21,24)
InChIKeyQLUDAOOONJZCJK-UHFFFAOYSA-N
MW318.38 g/mol
LogP2.89
Rot. Bonds5

About 1-benzyl-N-cyclopropyl-3-pyridin-3-ylpyrazole-4-carboxamide

1-benzyl-N-cyclopropyl-3-pyridin-3-ylpyrazole-4-carboxamide (PubChem CID 9461304) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 1-benzyl-N-cyclopropyl-3-pyridin-3-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-cyclopropyl-3-pyridin-3-ylpyrazole-4-carboxamide
PubChem CID9461304
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name1-benzyl-N-cyclopropyl-3-pyridin-3-ylpyrazole-4-carboxamide
SMILESO=C(NC1CC1)c1cn(Cc2ccccc2)nc1-c1cccnc1
InChIInChI=1S/C19H18N4O/c24-19(21-16-8-9-16)17-13-23(12-14-5-2-1-3-6-14)22-18(17)15-7-4-10-20-11-15/h1-7,10-11,13,16H,8-9,12H2,(H,21,24)
InChIKeyQLUDAOOONJZCJK-UHFFFAOYSA-N
XLogP2.89
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-(3-methoxypropyl)-3-pyridin-3-ylpyrazole-4-carboxamide
CID 17435310
N-(4-hydroxycyclohexyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 78767481
N-cyclopentyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 9208931
3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)-2-cyano-N-cyclopropylprop-2-enamide
CID 78651578
N-cycloheptyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 9268455
2-[2-[1-benzyl-3-(4-chlorophenyl)pyrazole-4-carbonyl]hydrazinyl]-N-cyclopropyl-2-oxoacetamide
CID 134008263
1-benzyl-N-(2-methylpiperidin-3-yl)-3-phenylpyrazole-4-carboxamide
CID 120574310
1-benzyl-3-(4-chlorophenyl)-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pyrazole-4-carboxamide
CID 46477065
1-benzyl-3-(4-methylphenyl)-N-[(3R)-6-oxopiperidin-3-yl]pyrazole-4-carboxamide
CID 95689853
(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]methanone
CID 8891327
1-benzyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylpyrazole-4-carboxamide
CID 24586614
1-benzyl-N-cyclohexyl-3-(2-methoxyphenyl)pyrazole-4-carboxamide
CID 9041373

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-cyclopropyl-3-pyridin-3-ylpyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-cyclopropyl-3-pyridin-3-ylpyrazole-4-carboxamide (CID 9461304) is 1-benzyl-N-cyclopropyl-3-pyridin-3-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-cyclopropyl-3-pyridin-3-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-cyclopropyl-3-pyridin-3-ylpyrazole-4-carboxamide is O=C(NC1CC1)c1cn(Cc2ccccc2)nc1-c1cccnc1.
What is the InChIKey of 1-benzyl-N-cyclopropyl-3-pyridin-3-ylpyrazole-4-carboxamide?
The InChIKey is QLUDAOOONJZCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c24-19(21-16-8-9-16)17-13-23(12-14-5-2-1-3-6-14)22-18(17)15-7-4-10-20-11-15/h1-7,10-11,13,16H,8-9,12H2,(H,21,24).
What are the key properties of 1-benzyl-N-cyclopropyl-3-pyridin-3-ylpyrazole-4-carboxamide?
1-benzyl-N-cyclopropyl-3-pyridin-3-ylpyrazole-4-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-cyclopropyl-3-pyridin-3-ylpyrazole-4-carboxamide is sourced from PubChem (CID 9461304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).