N-(5-carbamoyl-2-chlorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide

C13H13ClN4O2 — CID 61274098

IUPACN-(5-carbamoyl-2-chlorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)Nc1cc(C(N)=O)ccc1Cl
InChIInChI=1S/C13H13ClN4O2/c1-6-11(7(2)18-17-6)13(20)16-10-5-8(12(15)19)3-4-9(10)14/h3-5H,1-2H3,(H2,15,19)(H,16,20)(H,17,18)
InChIKeyJOBVWZIKXTUPQY-UHFFFAOYSA-N
MW292.73 g/mol
LogP2.03
Rot. Bonds3

About N-(5-carbamoyl-2-chlorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide

N-(5-carbamoyl-2-chlorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide (PubChem CID 61274098) has the molecular formula C13H13ClN4O2 and a molecular weight of 292.73 g/mol. Its IUPAC name is N-(5-carbamoyl-2-chlorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-carbamoyl-2-chlorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
PubChem CID61274098
Molecular FormulaC13H13ClN4O2
Molecular Weight292.73 g/mol
Exact Mass292.07
IUPAC NameN-(5-carbamoyl-2-chlorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)Nc1cc(C(N)=O)ccc1Cl
InChIInChI=1S/C13H13ClN4O2/c1-6-11(7(2)18-17-6)13(20)16-10-5-8(12(15)19)3-4-9(10)14/h3-5H,1-2H3,(H2,15,19)(H,16,20)(H,17,18)
InChIKeyJOBVWZIKXTUPQY-UHFFFAOYSA-N
XLogP2.03
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.73
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-carbamoyl-2-chlorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 63939091
methyl 3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-4-methylbenzoate
CID 60934285
N-(3,5-dichlorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43582492
N-(4-chloro-3-cyanophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 61259853
N-(5-chloro-2,4-dimethoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43582490
methyl 4-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-3-methylbenzoate
CID 61260356
3-(carbamothioylamino)-4-chlorobenzamide
CID 86665570
N-(5-carbamoyl-2-chlorophenyl)-2-chlorofuran-3-carboxamide
CID 106685896
N-(2-bromo-5-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 82766572
3,4-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide
CID 43399198
N-(5-bromo-2-iodophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 113366812
N-[2-(aminomethyl)phenyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 64882712

Frequently Asked Questions

What is the IUPAC name of N-(5-carbamoyl-2-chlorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(5-carbamoyl-2-chlorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide (CID 61274098) is N-(5-carbamoyl-2-chlorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(5-carbamoyl-2-chlorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(5-carbamoyl-2-chlorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide is Cc1n[nH]c(C)c1C(=O)Nc1cc(C(N)=O)ccc1Cl.
What is the InChIKey of N-(5-carbamoyl-2-chlorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The InChIKey is JOBVWZIKXTUPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O2/c1-6-11(7(2)18-17-6)13(20)16-10-5-8(12(15)19)3-4-9(10)14/h3-5H,1-2H3,(H2,15,19)(H,16,20)(H,17,18).
What are the key properties of N-(5-carbamoyl-2-chlorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
N-(5-carbamoyl-2-chlorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide has a molecular weight of 292.73 g/mol, XLogP of 2.03, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-carbamoyl-2-chlorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 61274098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).