1-(3-chlorophenyl)-N-(3-methyl-4-pyridinyl)pyrazole-4-carboxamide

C16H13ClN4O — CID 98783333

IUPAC1-(3-chlorophenyl)-N-(3-methyl-4-pyridinyl)pyrazole-4-carboxamide
SMILESCc1cnccc1NC(=O)c1cnn(-c2cccc(Cl)c2)c1
InChIInChI=1S/C16H13ClN4O/c1-11-8-18-6-5-15(11)20-16(22)12-9-19-21(10-12)14-4-2-3-13(17)7-14/h2-10H,1H3,(H,18,20,22)
InChIKeyRVWDOGQDPGAGBA-UHFFFAOYSA-N
MW312.76 g/mol
LogP3.48
Rot. Bonds3

About 1-(3-chlorophenyl)-N-(3-methyl-4-pyridinyl)pyrazole-4-carboxamide

1-(3-chlorophenyl)-N-(3-methyl-4-pyridinyl)pyrazole-4-carboxamide (PubChem CID 98783333) has the molecular formula C16H13ClN4O and a molecular weight of 312.76 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(3-methyl-4-pyridinyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(3-methyl-4-pyridinyl)pyrazole-4-carboxamide
PubChem CID98783333
Molecular FormulaC16H13ClN4O
Molecular Weight312.76 g/mol
Exact Mass312.08
IUPAC Name1-(3-chlorophenyl)-N-(3-methyl-4-pyridinyl)pyrazole-4-carboxamide
SMILESCc1cnccc1NC(=O)c1cnn(-c2cccc(Cl)c2)c1
InChIInChI=1S/C16H13ClN4O/c1-11-8-18-6-5-15(11)20-16(22)12-9-19-21(10-12)14-4-2-3-13(17)7-14/h2-10H,1H3,(H,18,20,22)
InChIKeyRVWDOGQDPGAGBA-UHFFFAOYSA-N
XLogP3.48
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 60527227
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CID 52694723
N-(5-chloro-2-fluorophenyl)-1-phenylpyrazole-4-carboxamide
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N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1-phenylpyrazole-4-carboxamide
CID 119074513
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CID 99635482
1-(3-chlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 47299668
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CID 67287365
1-(3-chlorophenyl)-N-[(3S)-3-hydroxybutyl]pyrazole-4-carboxamide
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1-(3-chlorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyrazole-4-carboxamide
CID 55874321
N-(3-iodo-4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 26285543
1-(3-chlorophenyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]pyrazole-4-carboxamide
CID 60529641

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(3-methyl-4-pyridinyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-(3-methyl-4-pyridinyl)pyrazole-4-carboxamide (CID 98783333) is 1-(3-chlorophenyl)-N-(3-methyl-4-pyridinyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(3-methyl-4-pyridinyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-(3-methyl-4-pyridinyl)pyrazole-4-carboxamide is Cc1cnccc1NC(=O)c1cnn(-c2cccc(Cl)c2)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-(3-methyl-4-pyridinyl)pyrazole-4-carboxamide?
The InChIKey is RVWDOGQDPGAGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O/c1-11-8-18-6-5-15(11)20-16(22)12-9-19-21(10-12)14-4-2-3-13(17)7-14/h2-10H,1H3,(H,18,20,22).
What are the key properties of 1-(3-chlorophenyl)-N-(3-methyl-4-pyridinyl)pyrazole-4-carboxamide?
1-(3-chlorophenyl)-N-(3-methyl-4-pyridinyl)pyrazole-4-carboxamide has a molecular weight of 312.76 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-(3-methyl-4-pyridinyl)pyrazole-4-carboxamide is sourced from PubChem (CID 98783333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).