N-(5-carbamoyl-2-chlorophenyl)-5-methyl-1H-pyrazole-4-carboxamide

C12H11ClN4O2 — CID 63939091

IUPACN-(5-carbamoyl-2-chlorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)Nc1cc(C(N)=O)ccc1Cl
InChIInChI=1S/C12H11ClN4O2/c1-6-8(5-15-17-6)12(19)16-10-4-7(11(14)18)2-3-9(10)13/h2-5H,1H3,(H2,14,18)(H,15,17)(H,16,19)
InChIKeyNXIZJQCXBBPRCK-UHFFFAOYSA-N
MW278.70 g/mol
LogP1.72
Rot. Bonds3

About N-(5-carbamoyl-2-chlorophenyl)-5-methyl-1H-pyrazole-4-carboxamide

N-(5-carbamoyl-2-chlorophenyl)-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 63939091) has the molecular formula C12H11ClN4O2 and a molecular weight of 278.70 g/mol. Its IUPAC name is N-(5-carbamoyl-2-chlorophenyl)-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-carbamoyl-2-chlorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID63939091
Molecular FormulaC12H11ClN4O2
Molecular Weight278.70 g/mol
Exact Mass278.06
IUPAC NameN-(5-carbamoyl-2-chlorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)Nc1cc(C(N)=O)ccc1Cl
InChIInChI=1S/C12H11ClN4O2/c1-6-8(5-15-17-6)12(19)16-10-4-7(11(14)18)2-3-9(10)13/h2-5H,1H3,(H2,14,18)(H,15,17)(H,16,19)
InChIKeyNXIZJQCXBBPRCK-UHFFFAOYSA-N
XLogP1.72
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.70
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dichloro-4-methylphenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 104727965
N-(5-carbamoyl-2-chlorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 61274098
4-chloro-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzamide
CID 43679573
5-methyl-N-[2-methyl-5-(methylcarbamoyl)phenyl]-1H-pyrazole-4-carboxamide
CID 63998435
N-(5-carbamoyl-2-chlorophenyl)-2-chlorofuran-3-carboxamide
CID 106685896
methyl 4-fluoro-3-[(5-methyl-1H-pyrazole-4-carbonyl)amino]benzoate
CID 63998429
methyl 3-methyl-4-[(5-methyl-1H-pyrazole-4-carbonyl)amino]benzoate
CID 63997003
N-(4-bromo-2,3-dichlorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 107792769
3-(carbamothioylamino)-4-chlorobenzamide
CID 86665570
N-(2-acetylphenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 63998634
N-(2-bromo-5-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 103754876
N-(5-carbamoyl-2-chlorophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 61273727

Frequently Asked Questions

What is the IUPAC name of N-(5-carbamoyl-2-chlorophenyl)-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(5-carbamoyl-2-chlorophenyl)-5-methyl-1H-pyrazole-4-carboxamide (CID 63939091) is N-(5-carbamoyl-2-chlorophenyl)-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(5-carbamoyl-2-chlorophenyl)-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(5-carbamoyl-2-chlorophenyl)-5-methyl-1H-pyrazole-4-carboxamide is Cc1[nH]ncc1C(=O)Nc1cc(C(N)=O)ccc1Cl.
What is the InChIKey of N-(5-carbamoyl-2-chlorophenyl)-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is NXIZJQCXBBPRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O2/c1-6-8(5-15-17-6)12(19)16-10-4-7(11(14)18)2-3-9(10)13/h2-5H,1H3,(H2,14,18)(H,15,17)(H,16,19).
What are the key properties of N-(5-carbamoyl-2-chlorophenyl)-5-methyl-1H-pyrazole-4-carboxamide?
N-(5-carbamoyl-2-chlorophenyl)-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 278.70 g/mol, XLogP of 1.72, 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)-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 63939091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).