1-(4-bromophenyl)-N-(2-chlorophenyl)-5-methylpyrazole-4-carboxamide

C17H13BrClN3O — CID 31777513

IUPAC1-(4-bromophenyl)-N-(2-chlorophenyl)-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2Cl)cnn1-c1ccc(Br)cc1
InChIInChI=1S/C17H13BrClN3O/c1-11-14(17(23)21-16-5-3-2-4-15(16)19)10-20-22(11)13-8-6-12(18)7-9-13/h2-10H,1H3,(H,21,23)
InChIKeyAMLDQQCGKKJMAO-UHFFFAOYSA-N
MW390.67 g/mol
LogP4.85
Rot. Bonds3

About 1-(4-bromophenyl)-N-(2-chlorophenyl)-5-methylpyrazole-4-carboxamide

1-(4-bromophenyl)-N-(2-chlorophenyl)-5-methylpyrazole-4-carboxamide (PubChem CID 31777513) has the molecular formula C17H13BrClN3O and a molecular weight of 390.67 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-(2-chlorophenyl)-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-(2-chlorophenyl)-5-methylpyrazole-4-carboxamide
PubChem CID31777513
Molecular FormulaC17H13BrClN3O
Molecular Weight390.67 g/mol
Exact Mass388.99
IUPAC Name1-(4-bromophenyl)-N-(2-chlorophenyl)-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2Cl)cnn1-c1ccc(Br)cc1
InChIInChI=1S/C17H13BrClN3O/c1-11-14(17(23)21-16-5-3-2-4-15(16)19)10-20-22(11)13-8-6-12(18)7-9-13/h2-10H,1H3,(H,21,23)
InChIKeyAMLDQQCGKKJMAO-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

Analyze 1-(4-bromophenyl)-N-(2-chlorophenyl)-5-methylpyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromophenyl)-N-(2-hydroxyphenyl)-5-methylpyrazole-4-carboxamide
CID 32908999
N-(4-bromophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 41482979
ethyl 1-[4-[(2-chlorophenyl)carbamoyl]phenyl]-5-methylpyrazole-4-carboxylate
CID 31910537
2-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]benzoic acid
CID 108804246
N-(1-benzylpyrazol-4-yl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide
CID 55947460
1-(4-bromophenyl)-N-[5-chloro-2-(propylcarbamoyl)phenyl]-5-methylpyrazole-4-carboxamide
CID 55895989
N-(3-bromophenyl)-1-(4-chlorophenyl)-5-methylpyrazole-4-carboxamide
CID 24629396
1-(4-bromophenyl)-N-(2,5-dimethoxyphenyl)-5-methylpyrazole-4-carboxamide
CID 31940513
1-(4-bromophenyl)-5-methyl-N-prop-2-ynylpyrazole-4-carboxamide
CID 32693366
1-(4-bromophenyl)-N-[2-[(2-hydroxybenzoyl)amino]ethyl]-5-methylpyrazole-4-carboxamide
CID 60572248
1-(4-bromophenyl)-N-(3-methoxyphenyl)-5-methylpyrazole-4-carboxamide
CID 36704733
[2-(2-chloroanilino)-2-oxoethyl] 5-methyl-1-phenylpyrazole-4-carboxylate
CID 18124031

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-(2-chlorophenyl)-5-methylpyrazole-4-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-N-(2-chlorophenyl)-5-methylpyrazole-4-carboxamide (CID 31777513) is 1-(4-bromophenyl)-N-(2-chlorophenyl)-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-(2-chlorophenyl)-5-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-N-(2-chlorophenyl)-5-methylpyrazole-4-carboxamide is Cc1c(C(=O)Nc2ccccc2Cl)cnn1-c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-(2-chlorophenyl)-5-methylpyrazole-4-carboxamide?
The InChIKey is AMLDQQCGKKJMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrClN3O/c1-11-14(17(23)21-16-5-3-2-4-15(16)19)10-20-22(11)13-8-6-12(18)7-9-13/h2-10H,1H3,(H,21,23).
What are the key properties of 1-(4-bromophenyl)-N-(2-chlorophenyl)-5-methylpyrazole-4-carboxamide?
1-(4-bromophenyl)-N-(2-chlorophenyl)-5-methylpyrazole-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-chlorophenyl)-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 31777513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).