N-(4-bromo-3-methylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide

C19H18BrN3O — CID 9209660

IUPACN-(4-bromo-3-methylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
SMILESCc1cc(NC(=O)c2c(C)nn(-c3ccccc3)c2C)ccc1Br
InChIInChI=1S/C19H18BrN3O/c1-12-11-15(9-10-17(12)20)21-19(24)18-13(2)22-23(14(18)3)16-7-5-4-6-8-16/h4-11H,1-3H3,(H,21,24)
InChIKeyKPUKNCSWXABBTI-UHFFFAOYSA-N
MW384.28 g/mol
LogP4.81
Rot. Bonds3

About N-(4-bromo-3-methylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide

N-(4-bromo-3-methylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide (PubChem CID 9209660) has the molecular formula C19H18BrN3O and a molecular weight of 384.28 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
PubChem CID9209660
Molecular FormulaC19H18BrN3O
Molecular Weight384.28 g/mol
Exact Mass383.06
IUPAC NameN-(4-bromo-3-methylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
SMILESCc1cc(NC(=O)c2c(C)nn(-c3ccccc3)c2C)ccc1Br
InChIInChI=1S/C19H18BrN3O/c1-12-11-15(9-10-17(12)20)21-19(24)18-13(2)22-23(14(18)3)16-7-5-4-6-8-16/h4-11H,1-3H3,(H,21,24)
InChIKeyKPUKNCSWXABBTI-UHFFFAOYSA-N
XLogP4.81
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.28
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-difluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 26245099
5-chloro-N-(3,4-dimethylphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide
CID 680133
N-[3-(2,2-dimethylpropanoylamino)phenyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 55532044
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 55662931
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 24516156
N-(4-bromo-3-methylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22774681
N-(2-hydroxyphenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 19472293
N-(4-acetamido-3-methylphenyl)-5-chloro-3-methyl-1-phenylpyrazole-4-carboxamide
CID 1147396
N-(5-chloro-2-methylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 19472297
3,5-dimethyl-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide
CID 51193529
5-chloro-3-methyl-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 3132709
2-bromo-N-(4-bromo-3-methylphenyl)benzamide
CID 2505928

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide (CID 9209660) is N-(4-bromo-3-methylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide is Cc1cc(NC(=O)c2c(C)nn(-c3ccccc3)c2C)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is KPUKNCSWXABBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O/c1-12-11-15(9-10-17(12)20)21-19(24)18-13(2)22-23(14(18)3)16-7-5-4-6-8-16/h4-11H,1-3H3,(H,21,24).
What are the key properties of N-(4-bromo-3-methylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide?
N-(4-bromo-3-methylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 384.28 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 9209660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).