5-chloro-3-methyl-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide

C18H16ClN3O — CID 3132709

IUPAC5-chloro-3-methyl-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCc1cccc(NC(=O)c2c(C)nn(-c3ccccc3)c2Cl)c1
InChIInChI=1S/C18H16ClN3O/c1-12-7-6-8-14(11-12)20-18(23)16-13(2)21-22(17(16)19)15-9-4-3-5-10-15/h3-11H,1-2H3,(H,20,23)
InChIKeyYTOIGQDIJSVMTD-UHFFFAOYSA-N
MW325.80 g/mol
LogP4.39
Rot. Bonds3

About 5-chloro-3-methyl-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide

5-chloro-3-methyl-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 3132709) has the molecular formula C18H16ClN3O and a molecular weight of 325.80 g/mol. Its IUPAC name is 5-chloro-3-methyl-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-3-methyl-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
PubChem CID3132709
Molecular FormulaC18H16ClN3O
Molecular Weight325.80 g/mol
Exact Mass325.10
IUPAC Name5-chloro-3-methyl-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCc1cccc(NC(=O)c2c(C)nn(-c3ccccc3)c2Cl)c1
InChIInChI=1S/C18H16ClN3O/c1-12-7-6-8-14(11-12)20-18(23)16-13(2)21-22(17(16)19)15-9-4-3-5-10-15/h3-11H,1-2H3,(H,20,23)
InChIKeyYTOIGQDIJSVMTD-UHFFFAOYSA-N
XLogP4.39
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(3,4-dimethylphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide
CID 680133
5-chloro-N-(3-cyanophenyl)-3-methyl-1-phenylpyrazole-4-carboxamide
CID 26245567
5-chloro-3-methyl-N-[3-(methylsulfonylmethyl)phenyl]-1-phenylpyrazole-4-carboxamide
CID 60605483
5-chloro-3-methyl-1-phenyl-N-[3-(thiophene-2-carbonylamino)phenyl]pyrazole-4-carboxamide
CID 46603289
N-(4-acetamido-3-methylphenyl)-5-chloro-3-methyl-1-phenylpyrazole-4-carboxamide
CID 1147396
N-(4-tert-butylphenyl)-5-chloro-3-methyl-1-phenylpyrazole-4-carboxamide
CID 26102988
N-(1,3-benzodioxol-5-yl)-5-chloro-3-methyl-1-phenylpyrazole-4-carboxamide
CID 2540316
5-chloro-N-(4-chloro-2-methylphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide
CID 26114612
5-chloro-N-[4-(dimethylamino)phenyl]-3-methyl-1-phenylpyrazole-4-carboxamide
CID 78776531
N-(3-methylphenyl)-6-oxo-1-phenylpyridazine-3-carboxamide
CID 31853823
5-chloro-N-(4-fluoro-3-nitrophenyl)-3-methyl-1-phenylpyrazole-4-carboxamide
CID 94866770
1-butyl-5-chloro-3-methyl-N-(3-methylphenyl)pyrazole-4-carboxamide
CID 9038891

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methyl-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-chloro-3-methyl-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide (CID 3132709) is 5-chloro-3-methyl-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-3-methyl-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-3-methyl-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide is Cc1cccc(NC(=O)c2c(C)nn(-c3ccccc3)c2Cl)c1.
What is the InChIKey of 5-chloro-3-methyl-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is YTOIGQDIJSVMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O/c1-12-7-6-8-14(11-12)20-18(23)16-13(2)21-22(17(16)19)15-9-4-3-5-10-15/h3-11H,1-2H3,(H,20,23).
What are the key properties of 5-chloro-3-methyl-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide?
5-chloro-3-methyl-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 325.80 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methyl-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 3132709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).