5-chloro-N-(2,6-dimethylphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide

C19H18ClN3O — CID 855984

IUPAC5-chloro-N-(2,6-dimethylphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1c(C)nn(-c2ccccc2)c1Cl
InChIInChI=1S/C19H18ClN3O/c1-12-8-7-9-13(2)17(12)21-19(24)16-14(3)22-23(18(16)20)15-10-5-4-6-11-15/h4-11H,1-3H3,(H,21,24)
InChIKeyKVXASRGLXVMQPK-UHFFFAOYSA-N
MW339.83 g/mol
LogP4.70
Rot. Bonds3

About 5-chloro-N-(2,6-dimethylphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide

5-chloro-N-(2,6-dimethylphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide (PubChem CID 855984) has the molecular formula C19H18ClN3O and a molecular weight of 339.83 g/mol. Its IUPAC name is 5-chloro-N-(2,6-dimethylphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2,6-dimethylphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide
PubChem CID855984
Molecular FormulaC19H18ClN3O
Molecular Weight339.83 g/mol
Exact Mass339.11
IUPAC Name5-chloro-N-(2,6-dimethylphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1c(C)nn(-c2ccccc2)c1Cl
InChIInChI=1S/C19H18ClN3O/c1-12-8-7-9-13(2)17(12)21-19(24)16-14(3)22-23(18(16)20)15-10-5-4-6-11-15/h4-11H,1-3H3,(H,21,24)
InChIKeyKVXASRGLXVMQPK-UHFFFAOYSA-N
XLogP4.70
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-3-methyl-1-(4-methylphenyl)-1H-pyrazole-4-carbaldehyde
CID 712938
N-(2,4-dimethylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 850351
5-methyl-N-(2-methylphenyl)-1-phenyl-1H-pyrazole-4-carboxamide
CID 850355
N-(2-ethylphenyl)-5-methyl-1-phenyl-1H-pyrazole-4-carboxamide
CID 850907
5-chloro-N-[2-(dimethylamino)ethyl]-3-methyl-1-phenylpyrazole-4-carboxamide
CID 2324595
5-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1,3-dimethyl-1H-pyrazole-4-carboxamide
CID 3712361
5-chloro-3-methyl-1-phenyl-N-(2-phenylpropyl)pyrazole-4-carboxamide
CID 16294262
5-chloro-3-methyl-N-(4-methylphenyl)-1-phenyl-1H-pyrazole-4-carboxamide
CID 678574
1-(4-chlorophenyl)-5-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 11211557
5-chloro-3-methyl-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 3132709
5-chloro-N-(2,4-dimethylphenyl)-3-methyl-1-phenyl-1H-pyrazole-4-carboxamide
CID 680132
5-chloro-N-cyclohexyl-3-methyl-1-phenylpyrazole-4-carboxamide
CID 728653

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,6-dimethylphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-chloro-N-(2,6-dimethylphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide (CID 855984) is 5-chloro-N-(2,6-dimethylphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-N-(2,6-dimethylphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-N-(2,6-dimethylphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide is Cc1cccc(C)c1NC(=O)c1c(C)nn(-c2ccccc2)c1Cl.
What is the InChIKey of 5-chloro-N-(2,6-dimethylphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is KVXASRGLXVMQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O/c1-12-8-7-9-13(2)17(12)21-19(24)16-14(3)22-23(18(16)20)15-10-5-4-6-11-15/h4-11H,1-3H3,(H,21,24).
What are the key properties of 5-chloro-N-(2,6-dimethylphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide?
5-chloro-N-(2,6-dimethylphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 339.83 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,6-dimethylphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 855984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).