1-(4-bromophenyl)-N-(2-chloro-4-methylphenyl)pyrazole-4-carboxamide

C17H13BrClN3O — CID 50772769

IUPAC1-(4-bromophenyl)-N-(2-chloro-4-methylphenyl)pyrazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2cnn(-c3ccc(Br)cc3)c2)c(Cl)c1
InChIInChI=1S/C17H13BrClN3O/c1-11-2-7-16(15(19)8-11)21-17(23)12-9-20-22(10-12)14-5-3-13(18)4-6-14/h2-10H,1H3,(H,21,23)
InChIKeyDLFSZKQGFHHOFC-UHFFFAOYSA-N
MW390.67 g/mol
LogP4.85
Rot. Bonds3

About 1-(4-bromophenyl)-N-(2-chloro-4-methylphenyl)pyrazole-4-carboxamide

1-(4-bromophenyl)-N-(2-chloro-4-methylphenyl)pyrazole-4-carboxamide (PubChem CID 50772769) has the molecular formula C17H13BrClN3O and a molecular weight of 390.67 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-(2-chloro-4-methylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-(2-chloro-4-methylphenyl)pyrazole-4-carboxamide
PubChem CID50772769
Molecular FormulaC17H13BrClN3O
Molecular Weight390.67 g/mol
Exact Mass388.99
IUPAC Name1-(4-bromophenyl)-N-(2-chloro-4-methylphenyl)pyrazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2cnn(-c3ccc(Br)cc3)c2)c(Cl)c1
InChIInChI=1S/C17H13BrClN3O/c1-11-2-7-16(15(19)8-11)21-17(23)12-9-20-22(10-12)14-5-3-13(18)4-6-14/h2-10H,1H3,(H,21,23)
InChIKeyDLFSZKQGFHHOFC-UHFFFAOYSA-N
XLogP4.85
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.67
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-N-(4,5-dimethoxy-2-methylphenyl)pyrazole-4-carboxamide
CID 55770669
N-(4-bromo-2-fluorophenyl)-1-phenylpyrazole-4-carboxamide
CID 50772677
4-(4-bromopyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)benzamide
CID 38761795
1-(4-bromophenyl)-N-(3-methylsulfanylphenyl)pyrazole-4-carboxamide
CID 50772851
1-(4-bromophenyl)-N-(2-propoxyphenyl)pyrazole-4-carboxamide
CID 55771196
1-(4-chlorophenyl)-N-(2,4-dimethoxyphenyl)pyrazole-4-carboxamide
CID 46488849
4-bromo-N-(4-bromo-2-chlorophenyl)benzamide
CID 7924398
1-(4-bromophenyl)pyrazole-4-carboxylic acid
CID 11601417
4-bromo-2-chloro-N-(2-chloro-4-methylphenyl)benzamide
CID 47299820
1-(4-bromophenyl)-N-cyclopropylpyrazole-4-carboxamide
CID 47242136
5-bromo-N-(2-chloro-4-methylphenyl)thiophene-3-carboxamide
CID 43424548
N-(2-chloro-4-methylphenyl)-2-[4-[1-(4-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 53027038

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-(2-chloro-4-methylphenyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-N-(2-chloro-4-methylphenyl)pyrazole-4-carboxamide (CID 50772769) is 1-(4-bromophenyl)-N-(2-chloro-4-methylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-(2-chloro-4-methylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-N-(2-chloro-4-methylphenyl)pyrazole-4-carboxamide is Cc1ccc(NC(=O)c2cnn(-c3ccc(Br)cc3)c2)c(Cl)c1.
What is the InChIKey of 1-(4-bromophenyl)-N-(2-chloro-4-methylphenyl)pyrazole-4-carboxamide?
The InChIKey is DLFSZKQGFHHOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrClN3O/c1-11-2-7-16(15(19)8-11)21-17(23)12-9-20-22(10-12)14-5-3-13(18)4-6-14/h2-10H,1H3,(H,21,23).
What are the key properties of 1-(4-bromophenyl)-N-(2-chloro-4-methylphenyl)pyrazole-4-carboxamide?
1-(4-bromophenyl)-N-(2-chloro-4-methylphenyl)pyrazole-4-carboxamide has a molecular weight of 390.67 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-(2-chloro-4-methylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 50772769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).