N-(1-ethylbenzimidazol-2-yl)-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

C21H15F6N5O — CID 33196970

IUPACN-(1-ethylbenzimidazol-2-yl)-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
SMILESCCn1c(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)nc2ccccc21
InChIInChI=1S/C21H15F6N5O/c1-2-31-16-9-4-3-8-15(16)29-19(31)30-18(33)14-11-28-32(17(14)21(25,26)27)13-7-5-6-12(10-13)20(22,23)24/h3-11H,2H2,1H3,(H,29,30,33)
InChIKeyVBPGLLZVULOPQR-UHFFFAOYSA-N
MW467.37 g/mol
LogP5.53
Rot. Bonds4

About N-(1-ethylbenzimidazol-2-yl)-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

N-(1-ethylbenzimidazol-2-yl)-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (PubChem CID 33196970) has the molecular formula C21H15F6N5O and a molecular weight of 467.37 g/mol. Its IUPAC name is N-(1-ethylbenzimidazol-2-yl)-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-ethylbenzimidazol-2-yl)-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
PubChem CID33196970
Molecular FormulaC21H15F6N5O
Molecular Weight467.37 g/mol
Exact Mass467.12
IUPAC NameN-(1-ethylbenzimidazol-2-yl)-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
SMILESCCn1c(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)nc2ccccc21
InChIInChI=1S/C21H15F6N5O/c1-2-31-16-9-4-3-8-15(16)29-19(31)30-18(33)14-11-28-32(17(14)21(25,26)27)13-7-5-6-12(10-13)20(22,23)24/h3-11H,2H2,1H3,(H,29,30,33)
InChIKeyVBPGLLZVULOPQR-UHFFFAOYSA-N
XLogP5.53
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.37
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1-ethylbenzimidazol-2-yl)-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]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-(4-ethylphenyl)-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 31808268
N-pyridin-2-yl-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 32699923
N-(4-fluorophenyl)-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 31695234
N-benzyl-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 25470234
N'-(2-methylbenzoyl)-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbohydrazide
CID 46541102
1-(3-chlorophenyl)-N'-(3-ethyl-4-oxoquinazolin-2-yl)-5-(trifluoromethyl)pyrazole-4-carbohydrazide
CID 24666388
N'-(3-ethyl-4-oxoquinazolin-2-yl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbohydrazide
CID 55555287
N-[2-(N-methylanilino)propyl]-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 55715045
propan-2-yl 2-[[5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]amino]acetate
CID 56543628
tert-butyl N-[2-[[5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]amino]ethyl]carbamate
CID 52778135
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 24666406
benzyl 2-[[5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]amino]acetate
CID 32813960

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylbenzimidazol-2-yl)-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of N-(1-ethylbenzimidazol-2-yl)-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (CID 33196970) is N-(1-ethylbenzimidazol-2-yl)-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-(1-ethylbenzimidazol-2-yl)-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for N-(1-ethylbenzimidazol-2-yl)-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is CCn1c(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)nc2ccccc21.
What is the InChIKey of N-(1-ethylbenzimidazol-2-yl)-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The InChIKey is VBPGLLZVULOPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F6N5O/c1-2-31-16-9-4-3-8-15(16)29-19(31)30-18(33)14-11-28-32(17(14)21(25,26)27)13-7-5-6-12(10-13)20(22,23)24/h3-11H,2H2,1H3,(H,29,30,33).
What are the key properties of N-(1-ethylbenzimidazol-2-yl)-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
N-(1-ethylbenzimidazol-2-yl)-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide has a molecular weight of 467.37 g/mol, XLogP of 5.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylbenzimidazol-2-yl)-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 33196970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).