N-[3-(2-chloro-4-methylphenyl)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-2-(trifluoromethyl)pyridine-4-carboxamide

C19H13ClF6N4O — CID 171093850

IUPACN-[3-(2-chloro-4-methylphenyl)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCc1ccc(-c2nn(C)c(NC(=O)c3ccnc(C(F)(F)F)c3)c2C(F)(F)F)c(Cl)c1
InChIInChI=1S/C19H13ClF6N4O/c1-9-3-4-11(12(20)7-9)15-14(19(24,25)26)16(30(2)29-15)28-17(31)10-5-6-27-13(8-10)18(21,22)23/h3-8H,1-2H3,(H,28,31)
InChIKeyILJVIFVTNGQTRI-UHFFFAOYSA-N
MW462.78 g/mol
LogP5.73
Rot. Bonds3

About N-[3-(2-chloro-4-methylphenyl)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-2-(trifluoromethyl)pyridine-4-carboxamide

N-[3-(2-chloro-4-methylphenyl)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 171093850) has the molecular formula C19H13ClF6N4O and a molecular weight of 462.78 g/mol. Its IUPAC name is N-[3-(2-chloro-4-methylphenyl)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-2-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(2-chloro-4-methylphenyl)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-2-(trifluoromethyl)pyridine-4-carboxamide
PubChem CID171093850
Molecular FormulaC19H13ClF6N4O
Molecular Weight462.78 g/mol
Exact Mass462.07
IUPAC NameN-[3-(2-chloro-4-methylphenyl)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCc1ccc(-c2nn(C)c(NC(=O)c3ccnc(C(F)(F)F)c3)c2C(F)(F)F)c(Cl)c1
InChIInChI=1S/C19H13ClF6N4O/c1-9-3-4-11(12(20)7-9)15-14(19(24,25)26)16(30(2)29-15)28-17(31)10-5-6-27-13(8-10)18(21,22)23/h3-8H,1-2H3,(H,28,31)
InChIKeyILJVIFVTNGQTRI-UHFFFAOYSA-N
XLogP5.73
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.78
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-(2-chloro-4-methylphenyl)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-2-(trifluoromethyl)pyridine-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-[3-(2-chloro-6-fluoro-4-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 168929406
N-(2-chloro-9-propan-2-ylpurin-6-yl)-2-(trifluoromethyl)pyridine-4-carboxamide
CID 155671486
1-methyl-3-(1-methylindazol-7-yl)-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide
CID 171093563
N-[5-[5-cyano-6-(1,3,5-trimethylpyrazol-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 130405023
2-tert-butyl-N-(3,5-dimethylphenyl)pyridine-4-carboxamide
CID 4731308
3-(1,3-benzodioxol-4-yl)-1-methyl-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide
CID 171093682
N-[4-(2-chloro-4-pyridinyl)-5-methyl-2-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide
CID 169024699
N-(2-chloro-4-methylphenyl)-2-(ethylamino)pyridine-4-carboxamide
CID 62165610
4-methyl-N-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-pyridinyl]benzamide
CID 58487503
2-tert-butyl-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide
CID 4731310
N-[4-methyl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 168930622
1-methyl-3-(6-methyl-1,3-benzothiazol-7-yl)-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide
CID 171093549

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chloro-4-methylphenyl)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The IUPAC name of N-[3-(2-chloro-4-methylphenyl)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-2-(trifluoromethyl)pyridine-4-carboxamide (CID 171093850) is N-[3-(2-chloro-4-methylphenyl)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-2-(trifluoromethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[3-(2-chloro-4-methylphenyl)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The canonical SMILES for N-[3-(2-chloro-4-methylphenyl)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-2-(trifluoromethyl)pyridine-4-carboxamide is Cc1ccc(-c2nn(C)c(NC(=O)c3ccnc(C(F)(F)F)c3)c2C(F)(F)F)c(Cl)c1.
What is the InChIKey of N-[3-(2-chloro-4-methylphenyl)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The InChIKey is ILJVIFVTNGQTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF6N4O/c1-9-3-4-11(12(20)7-9)15-14(19(24,25)26)16(30(2)29-15)28-17(31)10-5-6-27-13(8-10)18(21,22)23/h3-8H,1-2H3,(H,28,31).
What are the key properties of N-[3-(2-chloro-4-methylphenyl)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-2-(trifluoromethyl)pyridine-4-carboxamide?
N-[3-(2-chloro-4-methylphenyl)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-2-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 462.78 g/mol, XLogP of 5.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chloro-4-methylphenyl)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-2-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 171093850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).