1-(3-chlorophenyl)-N-(2-ethyl-6-methylphenyl)pyrazole-4-carboxamide

C19H18ClN3O — CID 60527227

IUPAC1-(3-chlorophenyl)-N-(2-ethyl-6-methylphenyl)pyrazole-4-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1cnn(-c2cccc(Cl)c2)c1
InChIInChI=1S/C19H18ClN3O/c1-3-14-7-4-6-13(2)18(14)22-19(24)15-11-21-23(12-15)17-9-5-8-16(20)10-17/h4-12H,3H2,1-2H3,(H,22,24)
InChIKeyIOJMXSBBTZCKDF-UHFFFAOYSA-N
MW339.83 g/mol
LogP4.65
Rot. Bonds4

About 1-(3-chlorophenyl)-N-(2-ethyl-6-methylphenyl)pyrazole-4-carboxamide

1-(3-chlorophenyl)-N-(2-ethyl-6-methylphenyl)pyrazole-4-carboxamide (PubChem CID 60527227) has the molecular formula C19H18ClN3O and a molecular weight of 339.83 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(2-ethyl-6-methylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(2-ethyl-6-methylphenyl)pyrazole-4-carboxamide
PubChem CID60527227
Molecular FormulaC19H18ClN3O
Molecular Weight339.83 g/mol
Exact Mass339.11
IUPAC Name1-(3-chlorophenyl)-N-(2-ethyl-6-methylphenyl)pyrazole-4-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1cnn(-c2cccc(Cl)c2)c1
InChIInChI=1S/C19H18ClN3O/c1-3-14-7-4-6-13(2)18(14)22-19(24)15-11-21-23(12-15)17-9-5-8-16(20)10-17/h4-12H,3H2,1-2H3,(H,22,24)
InChIKeyIOJMXSBBTZCKDF-UHFFFAOYSA-N
XLogP4.65
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-N-(3-methyl-4-pyridinyl)pyrazole-4-carboxamide
CID 98783333
N-[3-(aminomethyl)pentan-3-yl]-1-(3-chlorophenyl)pyrazole-4-carboxamide
CID 119571092
N-(6-bromo-3-pyridinyl)-1-(3-chlorophenyl)pyrazole-4-carboxamide
CID 99635482
1-(3-chlorophenyl)-N-[(3S)-3-hydroxybutyl]pyrazole-4-carboxamide
CID 95980723
1-(3-chlorophenyl)-N-(2-phenylphenyl)pyrazole-4-carboxamide
CID 52694723
2,4-dichloro-N-(2-ethyl-6-methylphenyl)benzamide
CID 779360
1-(3-chlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 47299668
4-[5-(4-chlorophenyl)triazol-1-yl]-N-(2-ethyl-6-methylphenyl)benzamide
CID 16652420
4-[[1-(3-chlorophenyl)pyrazole-4-carbonyl]amino]-4-methylpentanoic acid
CID 119204645
1-(3-chlorophenyl)-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrazole-4-carboxamide
CID 112845235
N-[1-(3-chlorophenyl)pyrazol-4-yl]benzamide
CID 67287365
3-bromo-N-(2-ethyl-6-methylphenyl)-4-methylbenzamide
CID 4936095

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(2-ethyl-6-methylphenyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-(2-ethyl-6-methylphenyl)pyrazole-4-carboxamide (CID 60527227) is 1-(3-chlorophenyl)-N-(2-ethyl-6-methylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(2-ethyl-6-methylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-(2-ethyl-6-methylphenyl)pyrazole-4-carboxamide is CCc1cccc(C)c1NC(=O)c1cnn(-c2cccc(Cl)c2)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-(2-ethyl-6-methylphenyl)pyrazole-4-carboxamide?
The InChIKey is IOJMXSBBTZCKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O/c1-3-14-7-4-6-13(2)18(14)22-19(24)15-11-21-23(12-15)17-9-5-8-16(20)10-17/h4-12H,3H2,1-2H3,(H,22,24).
What are the key properties of 1-(3-chlorophenyl)-N-(2-ethyl-6-methylphenyl)pyrazole-4-carboxamide?
1-(3-chlorophenyl)-N-(2-ethyl-6-methylphenyl)pyrazole-4-carboxamide has a molecular weight of 339.83 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-(2-ethyl-6-methylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 60527227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).