4-chloro-5-methyl-N-(2-pyridin-4-ylethyl)-1H-pyrazole-3-carboxamide

C12H13ClN4O — CID 121499652

IUPAC4-chloro-5-methyl-N-(2-pyridin-4-ylethyl)-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NCCc2ccncc2)c1Cl
InChIInChI=1S/C12H13ClN4O/c1-8-10(13)11(17-16-8)12(18)15-7-4-9-2-5-14-6-3-9/h2-3,5-6H,4,7H2,1H3,(H,15,18)(H,16,17)
InChIKeyWGJCWPBYWLCBRY-UHFFFAOYSA-N
MW264.72 g/mol
LogP1.74
Rot. Bonds4

About 4-chloro-5-methyl-N-(2-pyridin-4-ylethyl)-1H-pyrazole-3-carboxamide

4-chloro-5-methyl-N-(2-pyridin-4-ylethyl)-1H-pyrazole-3-carboxamide (PubChem CID 121499652) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is 4-chloro-5-methyl-N-(2-pyridin-4-ylethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-5-methyl-N-(2-pyridin-4-ylethyl)-1H-pyrazole-3-carboxamide
PubChem CID121499652
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC Name4-chloro-5-methyl-N-(2-pyridin-4-ylethyl)-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NCCc2ccncc2)c1Cl
InChIInChI=1S/C12H13ClN4O/c1-8-10(13)11(17-16-8)12(18)15-7-4-9-2-5-14-6-3-9/h2-3,5-6H,4,7H2,1H3,(H,15,18)(H,16,17)
InChIKeyWGJCWPBYWLCBRY-UHFFFAOYSA-N
XLogP1.74
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-dimethyl-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide
CID 110852276
4-chloro-5-methyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 119074643
3-hydroxy-2-methyl-N-(2-pyridin-4-ylethyl)benzamide
CID 82829166
4-ethyl-N-(2-pyridin-4-ylethyl)benzamide
CID 70990816
4,5-dichloro-2-(2-pyridin-4-ylethylcarbamoyl)benzoic acid
CID 1089157
2-pyridin-4-ylethylcarbamothioic S-acid
CID 115170339
N-[2-(4-chlorophenyl)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 20950837
(2R)-2-hydroxy-N-(2-pyridin-4-ylethyl)propanamide
CID 99965178
N-[2-(4-ethylphenyl)ethyl]pyridine-4-carboxamide
CID 110787242
3-chloro-2-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 62727761
3-(5-chloro-2-ethoxyphenyl)-N-(2-pyridin-4-ylethyl)-1H-pyrazole-5-carboxamide
CID 46948475
3,5-dimethyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-4-carboxamide
CID 167936191

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methyl-N-(2-pyridin-4-ylethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-5-methyl-N-(2-pyridin-4-ylethyl)-1H-pyrazole-3-carboxamide (CID 121499652) is 4-chloro-5-methyl-N-(2-pyridin-4-ylethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-5-methyl-N-(2-pyridin-4-ylethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-5-methyl-N-(2-pyridin-4-ylethyl)-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)NCCc2ccncc2)c1Cl.
What is the InChIKey of 4-chloro-5-methyl-N-(2-pyridin-4-ylethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is WGJCWPBYWLCBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c1-8-10(13)11(17-16-8)12(18)15-7-4-9-2-5-14-6-3-9/h2-3,5-6H,4,7H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 4-chloro-5-methyl-N-(2-pyridin-4-ylethyl)-1H-pyrazole-3-carboxamide?
4-chloro-5-methyl-N-(2-pyridin-4-ylethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 264.72 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methyl-N-(2-pyridin-4-ylethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 121499652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).