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

C12H12ClN3O — CID 110858828

IUPACN-(3-chlorophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)Nc2cccc(Cl)c2)c1C
InChIInChI=1S/C12H12ClN3O/c1-7-8(2)15-16-11(7)12(17)14-10-5-3-4-9(13)6-10/h3-6H,1-2H3,(H,14,17)(H,15,16)
InChIKeyJBQQMEXIZWLMQG-UHFFFAOYSA-N
MW249.70 g/mol
LogP2.93
Rot. Bonds2

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

N-(3-chlorophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide (PubChem CID 110858828) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
PubChem CID110858828
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC NameN-(3-chlorophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)Nc2cccc(Cl)c2)c1C
InChIInChI=1S/C12H12ClN3O/c1-7-8(2)15-16-11(7)12(17)14-10-5-3-4-9(13)6-10/h3-6H,1-2H3,(H,14,17)(H,15,16)
InChIKeyJBQQMEXIZWLMQG-UHFFFAOYSA-N
XLogP2.93
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-fluorophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
CID 110859321
N-(5-chloro-2-methylphenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
CID 110859079
N-(4-fluorophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
CID 110858631
N-[3-[(2,2-difluoro-2-pyridin-4-ylacetyl)amino]phenyl]-4,5-dimethyl-1H-pyrazole-3-carboxamide
CID 167887221
N-(3-chlorophenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 47244989
N-(3-chlorophenyl)-3-methylquinoxaline-2-carboxamide
CID 110858888
4-amino-5-methyl-N-(3-methylphenyl)-1H-pyrazole-3-carboxamide
CID 62083149
5-chloro-N-(3-chlorophenyl)-4,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-3-carboxamide
CID 142769243
N-(3-chlorophenyl)-6-methylpyridine-2-carboxamide
CID 31698646
N-(3-chlorophenyl)-2-methyl-1H-pyrrole-3-carboxamide
CID 110695775
N-(3-chlorophenyl)-5-nitro-1H-indazole-3-carboxamide
CID 35374426
4,5-dimethyl-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-1H-pyrazole-3-carboxamide
CID 90241214

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide (CID 110858828) is N-(3-chlorophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)Nc2cccc(Cl)c2)c1C.
What is the InChIKey of N-(3-chlorophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide?
The InChIKey is JBQQMEXIZWLMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c1-7-8(2)15-16-11(7)12(17)14-10-5-3-4-9(13)6-10/h3-6H,1-2H3,(H,14,17)(H,15,16).
What are the key properties of N-(3-chlorophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide?
N-(3-chlorophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide has a molecular weight of 249.70 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 110858828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).