3-methyl-N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide

C18H14F3N3O — CID 84565038

IUPAC3-methyl-N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide
SMILESCc1cccc(C(=O)Nc2n[nH]c(C(F)(F)F)c2-c2ccccc2)c1
InChIInChI=1S/C18H14F3N3O/c1-11-6-5-9-13(10-11)17(25)22-16-14(12-7-3-2-4-8-12)15(23-24-16)18(19,20)21/h2-10H,1H3,(H2,22,23,24,25)
InChIKeyCNDKIAJKANZUJE-UHFFFAOYSA-N
MW345.32 g/mol
LogP4.66
Rot. Bonds3

About 3-methyl-N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide

3-methyl-N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide (PubChem CID 84565038) has the molecular formula C18H14F3N3O and a molecular weight of 345.32 g/mol. Its IUPAC name is 3-methyl-N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide
PubChem CID84565038
Molecular FormulaC18H14F3N3O
Molecular Weight345.32 g/mol
Exact Mass345.11
IUPAC Name3-methyl-N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide
SMILESCc1cccc(C(=O)Nc2n[nH]c(C(F)(F)F)c2-c2ccccc2)c1
InChIInChI=1S/C18H14F3N3O/c1-11-6-5-9-13(10-11)17(25)22-16-14(12-7-3-2-4-8-12)15(23-24-16)18(19,20)21/h2-10H,1H3,(H2,22,23,24,25)
InChIKeyCNDKIAJKANZUJE-UHFFFAOYSA-N
XLogP4.66
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-methyl-N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide 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-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide
CID 84565036
3-bromo-N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide
CID 84565044
2-bromo-N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide
CID 84565043
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylbenzamide
CID 113227581
N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]butanamide
CID 84565030
1-(3-chlorophenyl)-3-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]urea
CID 84565072
2-[3-(3-methylphenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]pyridine
CID 159749532
(E)-3-(3,4-dimethoxyphenyl)-N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]prop-2-enamide
CID 84565685
N'-(3-methylbenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 26823847
3-methyl-N-(5-phenyl-1,3-thiazol-2-yl)benzamide
CID 58033086
3,5-dimethoxy-N-[5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-yl]benzamide
CID 53197830
2-[(3-methylbenzoyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide
CID 9172409

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide?
The IUPAC name of 3-methyl-N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide (CID 84565038) is 3-methyl-N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide.
What is the SMILES notation for 3-methyl-N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide?
The canonical SMILES for 3-methyl-N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide is Cc1cccc(C(=O)Nc2n[nH]c(C(F)(F)F)c2-c2ccccc2)c1.
What is the InChIKey of 3-methyl-N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide?
The InChIKey is CNDKIAJKANZUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O/c1-11-6-5-9-13(10-11)17(25)22-16-14(12-7-3-2-4-8-12)15(23-24-16)18(19,20)21/h2-10H,1H3,(H2,22,23,24,25).
What are the key properties of 3-methyl-N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide?
3-methyl-N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide has a molecular weight of 345.32 g/mol, XLogP of 4.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide is sourced from PubChem (CID 84565038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).