5-bromo-N-methyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide

C12H9BrF3N3O — CID 70483864

IUPAC5-bromo-N-methyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide
SMILESCN(C(=O)c1cn[nH]c1Br)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H9BrF3N3O/c1-19(11(20)9-6-17-18-10(9)13)8-4-2-3-7(5-8)12(14,15)16/h2-6H,1H3,(H,17,18)
InChIKeySCXYITOPBGGLHE-UHFFFAOYSA-N
MW348.12 g/mol
LogP3.47
Rot. Bonds2

About 5-bromo-N-methyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide

5-bromo-N-methyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide (PubChem CID 70483864) has the molecular formula C12H9BrF3N3O and a molecular weight of 348.12 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-bromo-N-methyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide
PubChem CID70483864
Molecular FormulaC12H9BrF3N3O
Molecular Weight348.12 g/mol
Exact Mass346.99
IUPAC Name5-bromo-N-methyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide
SMILESCN(C(=O)c1cn[nH]c1Br)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H9BrF3N3O/c1-19(11(20)9-6-17-18-10(9)13)8-4-2-3-7(5-8)12(14,15)16/h2-6H,1H3,(H,17,18)
InChIKeySCXYITOPBGGLHE-UHFFFAOYSA-N
XLogP3.47
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.12
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-bromo-N-methyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-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

N-methyl-2-nitro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 22245166
N,2-dimethyl-N-[2-[methyl-[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 118041352
3,5-dichloro-N-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 1475846
1-methyl-1-[3-(trifluoromethyl)phenyl]thiourea
CID 131849076
N-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]isoquinoline-4-carboxamide
CID 122174297
[3-(trifluoromethyl)phenyl]methyl 2-[methyl(phenyl)carbamoyl]benzoate
CID 16510899
N-(4-fluorophenyl)-N-methyl-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
CID 12849353
5-cyclopropyl-N-methyl-N-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 52850985
2-amino-5-hydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide
CID 107733144
5-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide
CID 47801183
N-(3-hydroxyphenyl)-N-methyl-1H-indazole-6-carboxamide
CID 107735897
N,N-dimethyl-5-[(1Z)-1-[N-methyl-3-(trifluoromethyl)anilino]-3-(trifluoromethyl)buta-1,3-dienyl]thiophene-2-carboxamide
CID 89331814

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-bromo-N-methyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide (CID 70483864) is 5-bromo-N-methyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-bromo-N-methyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-bromo-N-methyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide is CN(C(=O)c1cn[nH]c1Br)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-bromo-N-methyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide?
The InChIKey is SCXYITOPBGGLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrF3N3O/c1-19(11(20)9-6-17-18-10(9)13)8-4-2-3-7(5-8)12(14,15)16/h2-6H,1H3,(H,17,18).
What are the key properties of 5-bromo-N-methyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide?
5-bromo-N-methyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide has a molecular weight of 348.12 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 70483864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).