4-(1-methyl-1,2,4-triazol-3-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]benzamide

C15H13F3N6O — CID 136521772

IUPAC4-(1-methyl-1,2,4-triazol-3-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]benzamide
SMILESCn1cnc(-c2ccc(C(=O)Nc3cn(C)nc3C(F)(F)F)cc2)n1
InChIInChI=1S/C15H13F3N6O/c1-23-7-11(12(21-23)15(16,17)18)20-14(25)10-5-3-9(4-6-10)13-19-8-24(2)22-13/h3-8H,1-2H3,(H,20,25)
InChIKeyFJEKDRPSLHSSSQ-UHFFFAOYSA-N
MW350.30 g/mol
LogP2.49
Rot. Bonds3

About 4-(1-methyl-1,2,4-triazol-3-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]benzamide

4-(1-methyl-1,2,4-triazol-3-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]benzamide (PubChem CID 136521772) has the molecular formula C15H13F3N6O and a molecular weight of 350.30 g/mol. Its IUPAC name is 4-(1-methyl-1,2,4-triazol-3-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name4-(1-methyl-1,2,4-triazol-3-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]benzamide
PubChem CID136521772
Molecular FormulaC15H13F3N6O
Molecular Weight350.30 g/mol
Exact Mass350.11
IUPAC Name4-(1-methyl-1,2,4-triazol-3-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]benzamide
SMILESCn1cnc(-c2ccc(C(=O)Nc3cn(C)nc3C(F)(F)F)cc2)n1
InChIInChI=1S/C15H13F3N6O/c1-23-7-11(12(21-23)15(16,17)18)20-14(25)10-5-3-9(4-6-10)13-19-8-24(2)22-13/h3-8H,1-2H3,(H,20,25)
InChIKeyFJEKDRPSLHSSSQ-UHFFFAOYSA-N
XLogP2.49
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-acetyl-N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]benzamide
CID 75504194
N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
CID 154806277
N-(1-ethyl-6-oxo-3-pyridinyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
CID 136521739
4-(difluoromethylsulfanyl)-N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]benzamide
CID 75477317
1-(4-chlorophenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]urea
CID 2807795
1-methyl-5-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]carbamoyl]pyrazole-4-carboxylic acid
CID 29097233
N-(2-hydroxypropyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
CID 110020251
4-fluoro-3-[[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]benzoic acid
CID 75516525
N-[2-(4-acetylphenyl)-4-fluorophenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 21084524
N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 140844597
N-[4-fluoro-2-(4-fluorophenyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 66917224
5-[(Z)-3-iminobut-1-enyl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1H-pyrrole-2-carboxamide
CID 145153348

Frequently Asked Questions

What is the IUPAC name of 4-(1-methyl-1,2,4-triazol-3-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]benzamide?
The IUPAC name of 4-(1-methyl-1,2,4-triazol-3-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]benzamide (CID 136521772) is 4-(1-methyl-1,2,4-triazol-3-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]benzamide.
What is the SMILES notation for 4-(1-methyl-1,2,4-triazol-3-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]benzamide?
The canonical SMILES for 4-(1-methyl-1,2,4-triazol-3-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]benzamide is Cn1cnc(-c2ccc(C(=O)Nc3cn(C)nc3C(F)(F)F)cc2)n1.
What is the InChIKey of 4-(1-methyl-1,2,4-triazol-3-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]benzamide?
The InChIKey is FJEKDRPSLHSSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N6O/c1-23-7-11(12(21-23)15(16,17)18)20-14(25)10-5-3-9(4-6-10)13-19-8-24(2)22-13/h3-8H,1-2H3,(H,20,25).
What are the key properties of 4-(1-methyl-1,2,4-triazol-3-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]benzamide?
4-(1-methyl-1,2,4-triazol-3-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]benzamide has a molecular weight of 350.30 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methyl-1,2,4-triazol-3-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]benzamide is sourced from PubChem (CID 136521772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).