1-(2-chlorophenyl)-5-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide

C17H15ClN4O — CID 42818120

IUPAC1-(2-chlorophenyl)-5-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCc2ccccn2)cnn1-c1ccccc1Cl
InChIInChI=1S/C17H15ClN4O/c1-12-14(17(23)20-10-13-6-4-5-9-19-13)11-21-22(12)16-8-3-2-7-15(16)18/h2-9,11H,10H2,1H3,(H,20,23)
InChIKeyOXOUHPSKIGZVGE-UHFFFAOYSA-N
MW326.79 g/mol
LogP3.16
Rot. Bonds4

About 1-(2-chlorophenyl)-5-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide

1-(2-chlorophenyl)-5-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide (PubChem CID 42818120) has the molecular formula C17H15ClN4O and a molecular weight of 326.79 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-5-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-5-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
PubChem CID42818120
Molecular FormulaC17H15ClN4O
Molecular Weight326.79 g/mol
Exact Mass326.09
IUPAC Name1-(2-chlorophenyl)-5-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCc2ccccn2)cnn1-c1ccccc1Cl
InChIInChI=1S/C17H15ClN4O/c1-12-14(17(23)20-10-13-6-4-5-9-19-13)11-21-22(12)16-8-3-2-7-15(16)18/h2-9,11H,10H2,1H3,(H,20,23)
InChIKeyOXOUHPSKIGZVGE-UHFFFAOYSA-N
XLogP3.16
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.79
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dichloro-N-(pyridin-2-ylmethyl)benzamide
CID 1247422
1-(2-chlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methylpyrazole-4-carboxamide
CID 120946465
N-[[4-(methanesulfonamidomethyl)-2-pyridinyl]methyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 157015006
1-(4-chlorophenyl)-5-phenyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
CID 42818142
1-(2-chlorophenyl)-5-methyl-N-(2,4,6-trimethylphenyl)pyrazole-4-carboxamide
CID 99122312
1-(2-chlorophenyl)-5-methyl-N-(thian-4-yl)pyrazole-4-carboxamide
CID 56788134
N-[2-(2,6-dichlorophenyl)ethyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 60566225
N-(pyridin-2-ylmethyl)-2-pyrrol-1-ylbenzamide
CID 39047420
4-[[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]methyl]benzoic acid
CID 108793390
1-(2-chlorophenyl)-5-propyl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide
CID 42818207
N-(2-aminoethyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 108793385
5-chloro-2-methoxy-4-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 110762042

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-5-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-5-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide (CID 42818120) is 1-(2-chlorophenyl)-5-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-5-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-5-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide is Cc1c(C(=O)NCc2ccccn2)cnn1-c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-5-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is OXOUHPSKIGZVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O/c1-12-14(17(23)20-10-13-6-4-5-9-19-13)11-21-22(12)16-8-3-2-7-15(16)18/h2-9,11H,10H2,1H3,(H,20,23).
What are the key properties of 1-(2-chlorophenyl)-5-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide?
1-(2-chlorophenyl)-5-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 326.79 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-5-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 42818120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).