1-(2-chlorophenyl)-N-(cyclopropylmethyl)-4-methyl-N-pyridin-3-ylpyrazole-3-carboxamide

C20H19ClN4O — CID 99608516

IUPAC1-(2-chlorophenyl)-N-(cyclopropylmethyl)-4-methyl-N-pyridin-3-ylpyrazole-3-carboxamide
SMILESCc1cn(-c2ccccc2Cl)nc1C(=O)N(CC1CC1)c1cccnc1
InChIInChI=1S/C20H19ClN4O/c1-14-12-25(18-7-3-2-6-17(18)21)23-19(14)20(26)24(13-15-8-9-15)16-5-4-10-22-11-16/h2-7,10-12,15H,8-9,13H2,1H3
InChIKeyOOJASZCOMSTJDD-UHFFFAOYSA-N
MW366.85 g/mol
LogP4.29
Rot. Bonds5

About 1-(2-chlorophenyl)-N-(cyclopropylmethyl)-4-methyl-N-pyridin-3-ylpyrazole-3-carboxamide

1-(2-chlorophenyl)-N-(cyclopropylmethyl)-4-methyl-N-pyridin-3-ylpyrazole-3-carboxamide (PubChem CID 99608516) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-(cyclopropylmethyl)-4-methyl-N-pyridin-3-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-(cyclopropylmethyl)-4-methyl-N-pyridin-3-ylpyrazole-3-carboxamide
PubChem CID99608516
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC Name1-(2-chlorophenyl)-N-(cyclopropylmethyl)-4-methyl-N-pyridin-3-ylpyrazole-3-carboxamide
SMILESCc1cn(-c2ccccc2Cl)nc1C(=O)N(CC1CC1)c1cccnc1
InChIInChI=1S/C20H19ClN4O/c1-14-12-25(18-7-3-2-6-17(18)21)23-19(14)20(26)24(13-15-8-9-15)16-5-4-10-22-11-16/h2-7,10-12,15H,8-9,13H2,1H3
InChIKeyOOJASZCOMSTJDD-UHFFFAOYSA-N
XLogP4.29
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-3-pyridinyl)-1-methyl-1H-pyrazole-3-carboxamide
CID 1225828
4-(2-amino-2-oxoethyl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-(4-methylpyridin-3-yl)-1H-pyrazole-3-carboxamide
CID 24798011
(3-Chloropyrazolo[1,5-a]pyridin-2-yl)-[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone
CID 57394859
N-(2-chlorophenyl)-N,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 850671
(4-Chloro-2-methylpyrazol-3-yl)-(4-phenylpiperazin-1-yl)methanone
CID 6464474
N-(4-chlorophenyl)-1-(2-(pyridin-4-yl)ethyl)-1H-pyrazole-5-carboxamide
CID 44431890
N-(4-chlorophenyl)-5-methyl-2-(2-pyridin-4-ylethyl)pyrazole-3-carboxamide
CID 44431914
N-(4-chlorophenyl)-1-methyl-4-(pyridin-4-ylmethylamino)-1H-pyrazole-5-carboxamide
CID 44439468
N-(3,4-dichlorophenyl)-1-methyl-4-(pyridin-4-ylmethylamino)-1H-pyrazole-5-carboxamide
CID 44439482
N-(2-chlorophenyl)-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
CID 44449335
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide
CID 56658151
N-[2-(dimethylamino)ethyl]-1-phenyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide
CID 56789515

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-(cyclopropylmethyl)-4-methyl-N-pyridin-3-ylpyrazole-3-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N-(cyclopropylmethyl)-4-methyl-N-pyridin-3-ylpyrazole-3-carboxamide (CID 99608516) is 1-(2-chlorophenyl)-N-(cyclopropylmethyl)-4-methyl-N-pyridin-3-ylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-(cyclopropylmethyl)-4-methyl-N-pyridin-3-ylpyrazole-3-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-(cyclopropylmethyl)-4-methyl-N-pyridin-3-ylpyrazole-3-carboxamide is Cc1cn(-c2ccccc2Cl)nc1C(=O)N(CC1CC1)c1cccnc1.
What is the InChIKey of 1-(2-chlorophenyl)-N-(cyclopropylmethyl)-4-methyl-N-pyridin-3-ylpyrazole-3-carboxamide?
The InChIKey is OOJASZCOMSTJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O/c1-14-12-25(18-7-3-2-6-17(18)21)23-19(14)20(26)24(13-15-8-9-15)16-5-4-10-22-11-16/h2-7,10-12,15H,8-9,13H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-N-(cyclopropylmethyl)-4-methyl-N-pyridin-3-ylpyrazole-3-carboxamide?
1-(2-chlorophenyl)-N-(cyclopropylmethyl)-4-methyl-N-pyridin-3-ylpyrazole-3-carboxamide has a molecular weight of 366.85 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-(cyclopropylmethyl)-4-methyl-N-pyridin-3-ylpyrazole-3-carboxamide is sourced from PubChem (CID 99608516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).