3-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide

C16H13ClN4O — CID 46920507

IUPAC3-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide
SMILESO=C(NCc1ccccn1)c1cc(-c2ccccc2Cl)n[nH]1
InChIInChI=1S/C16H13ClN4O/c17-13-7-2-1-6-12(13)14-9-15(21-20-14)16(22)19-10-11-5-3-4-8-18-11/h1-9H,10H2,(H,19,22)(H,20,21)
InChIKeyYNVHHFSBGCZNSB-UHFFFAOYSA-N
MW312.76 g/mol
LogP3.06
Rot. Bonds4

About 3-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide

3-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide (PubChem CID 46920507) has the molecular formula C16H13ClN4O and a molecular weight of 312.76 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide
PubChem CID46920507
Molecular FormulaC16H13ClN4O
Molecular Weight312.76 g/mol
Exact Mass312.08
IUPAC Name3-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide
SMILESO=C(NCc1ccccn1)c1cc(-c2ccccc2Cl)n[nH]1
InChIInChI=1S/C16H13ClN4O/c17-13-7-2-1-6-12(13)14-9-15(21-20-14)16(22)19-10-11-5-3-4-8-18-11/h1-9H,10H2,(H,19,22)(H,20,21)
InChIKeyYNVHHFSBGCZNSB-UHFFFAOYSA-N
XLogP3.06
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chlorophenyl)-N'-pyrimidin-2-yl-1H-pyrazole-5-carbohydrazide
CID 78862068
3-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 46920479
2,3-dichloro-N-(pyridin-2-ylmethyl)benzamide
CID 1247422
N-benzyl-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 46352032
4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-(pyridin-2-ylmethyl)benzamide
CID 46109251
3-(2-chlorophenyl)-N-(1-hydroxypropan-2-yl)-1H-pyrazole-5-carboxamide
CID 78860717
3-(2-chlorophenyl)-N-[(4,4-difluorocyclohexyl)methyl]-1H-pyrazole-5-carboxamide
CID 138992310
5-(3,4-dichloroanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109191005
3-(2-chlorophenyl)-N-(3,4-difluorophenyl)-1H-pyrazole-5-carboxamide
CID 46920076
3-(2-chlorophenyl)-N-piperidin-4-yl-1H-pyrazole-5-carboxamide
CID 119387033
3-(2-chlorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrazole-5-carboxamide
CID 110001692
3-chloro-6-(methylamino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 62166943

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide (CID 46920507) is 3-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide is O=C(NCc1ccccn1)c1cc(-c2ccccc2Cl)n[nH]1.
What is the InChIKey of 3-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is YNVHHFSBGCZNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O/c17-13-7-2-1-6-12(13)14-9-15(21-20-14)16(22)19-10-11-5-3-4-8-18-11/h1-9H,10H2,(H,19,22)(H,20,21).
What are the key properties of 3-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide?
3-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 312.76 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 46920507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).