N-(5-chloro-2-methylphenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide

C13H14ClN3O — CID 110859079

IUPACN-(5-chloro-2-methylphenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1n[nH]c(C)c1C
InChIInChI=1S/C13H14ClN3O/c1-7-4-5-10(14)6-11(7)15-13(18)12-8(2)9(3)16-17-12/h4-6H,1-3H3,(H,15,18)(H,16,17)
InChIKeyAIXOPCMHVRFZKF-UHFFFAOYSA-N
MW263.73 g/mol
LogP3.24
Rot. Bonds2

About N-(5-chloro-2-methylphenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide

N-(5-chloro-2-methylphenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide (PubChem CID 110859079) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
PubChem CID110859079
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC NameN-(5-chloro-2-methylphenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1n[nH]c(C)c1C
InChIInChI=1S/C13H14ClN3O/c1-7-4-5-10(14)6-11(7)15-13(18)12-8(2)9(3)16-17-12/h4-6H,1-3H3,(H,15,18)(H,16,17)
InChIKeyAIXOPCMHVRFZKF-UHFFFAOYSA-N
XLogP3.24
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 53.24
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-(cyclopropylmethylcarbamoyl)-2-methylphenyl]-4,5-dimethyl-1H-pyrazole-3-carboxamide
CID 136534622
N-(5-chloro-2-methylphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55738543
N-(5-chloro-2-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53087364
N-(5-chloro-2-methylphenyl)-1,3-oxazole-4-carboxamide
CID 110689561
N-(5-chloro-2-methylphenyl)-2,4,6-trimethylbenzamide
CID 675121
N-(5-chloro-2-methylphenyl)-3,5-dimethylbenzamide
CID 918666
N-(5-chloro-2-methylphenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide
CID 112513869
N-(5-chloro-2-methylphenyl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 43854702
N-(4-fluorophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
CID 110858631
4-[(5-chloro-2-methylphenyl)carbamoyl]benzoic acid
CID 43386540
N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide (CID 110859079) is N-(5-chloro-2-methylphenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide is Cc1ccc(Cl)cc1NC(=O)c1n[nH]c(C)c1C.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide?
The InChIKey is AIXOPCMHVRFZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-7-4-5-10(14)6-11(7)15-13(18)12-8(2)9(3)16-17-12/h4-6H,1-3H3,(H,15,18)(H,16,17).
What are the key properties of N-(5-chloro-2-methylphenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide?
N-(5-chloro-2-methylphenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide has a molecular weight of 263.73 g/mol, XLogP of 3.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 110859079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).