1-(3-chlorophenyl)-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide

C17H15ClN4O — CID 110373019

IUPAC1-(3-chlorophenyl)-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCc2ccncc2)nn1-c1cccc(Cl)c1
InChIInChI=1S/C17H15ClN4O/c1-12-9-16(17(23)20-11-13-5-7-19-8-6-13)21-22(12)15-4-2-3-14(18)10-15/h2-10H,11H2,1H3,(H,20,23)
InChIKeyYSWMXBJFJDXXOW-UHFFFAOYSA-N
MW326.79 g/mol
LogP3.16
Rot. Bonds4

About 1-(3-chlorophenyl)-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide

1-(3-chlorophenyl)-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide (PubChem CID 110373019) has the molecular formula C17H15ClN4O and a molecular weight of 326.79 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
PubChem CID110373019
Molecular FormulaC17H15ClN4O
Molecular Weight326.79 g/mol
Exact Mass326.09
IUPAC Name1-(3-chlorophenyl)-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCc2ccncc2)nn1-c1cccc(Cl)c1
InChIInChI=1S/C17H15ClN4O/c1-12-9-16(17(23)20-11-13-5-7-19-8-6-13)21-22(12)15-4-2-3-14(18)10-15/h2-10H,11H2,1H3,(H,20,23)
InChIKeyYSWMXBJFJDXXOW-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

1-(4-chlorophenyl)-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 110372973
5-methyl-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 110372798
1-(4-fluorophenyl)-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 110372883
1-(3-chlorophenyl)-N-[(2R,4S)-4-hydroxy-2-methylpentyl]-5-methylpyrazole-3-carboxamide
CID 97338956
1-ethyl-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 110681696
1-(3-methoxyphenyl)-5-methyl-N-[(3-methylphenyl)methyl]pyrazole-3-carboxamide
CID 110373177
5-methyl-N-[(4-methylsulfonylphenyl)methyl]-1-phenylpyrazole-3-carboxamide
CID 60511850
1-(3-chlorophenyl)-N-(1-hydroxy-3-methylpentan-3-yl)-5-methylpyrazole-3-carboxamide
CID 110002325
1-(3-chlorophenyl)-5-methyl-N-[(3-methyloxolan-3-yl)methyl]pyrazole-3-carboxamide
CID 146126301
N-benzyl-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide
CID 110373063
4-chloro-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 43088257
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide
CID 71840362

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide (CID 110373019) is 1-(3-chlorophenyl)-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide is Cc1cc(C(=O)NCc2ccncc2)nn1-c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide?
The InChIKey is YSWMXBJFJDXXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O/c1-12-9-16(17(23)20-11-13-5-7-19-8-6-13)21-22(12)15-4-2-3-14(18)10-15/h2-10H,11H2,1H3,(H,20,23).
What are the key properties of 1-(3-chlorophenyl)-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide?
1-(3-chlorophenyl)-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-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-(3-chlorophenyl)-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 110373019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).