3-(2-chloro-3-methoxyphenyl)-1-methyl-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide

C19H13ClF6N4O2 — CID 171093843

IUPAC3-(2-chloro-3-methoxyphenyl)-1-methyl-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide
SMILESCOc1cccc(-c2nn(C)c(C(=O)Nc3ccnc(C(F)(F)F)c3)c2C(F)(F)F)c1Cl
InChIInChI=1S/C19H13ClF6N4O2/c1-30-16(17(31)28-9-6-7-27-12(8-9)18(21,22)23)13(19(24,25)26)15(29-30)10-4-3-5-11(32-2)14(10)20/h3-8H,1-2H3,(H,27,28,31)
InChIKeyUAGJGHQFSXGZPT-UHFFFAOYSA-N
MW478.78 g/mol
LogP5.43
Rot. Bonds4

About 3-(2-chloro-3-methoxyphenyl)-1-methyl-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide

3-(2-chloro-3-methoxyphenyl)-1-methyl-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide (PubChem CID 171093843) has the molecular formula C19H13ClF6N4O2 and a molecular weight of 478.78 g/mol. Its IUPAC name is 3-(2-chloro-3-methoxyphenyl)-1-methyl-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-chloro-3-methoxyphenyl)-1-methyl-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide
PubChem CID171093843
Molecular FormulaC19H13ClF6N4O2
Molecular Weight478.78 g/mol
Exact Mass478.06
IUPAC Name3-(2-chloro-3-methoxyphenyl)-1-methyl-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide
SMILESCOc1cccc(-c2nn(C)c(C(=O)Nc3ccnc(C(F)(F)F)c3)c2C(F)(F)F)c1Cl
InChIInChI=1S/C19H13ClF6N4O2/c1-30-16(17(31)28-9-6-7-27-12(8-9)18(21,22)23)13(19(24,25)26)15(29-30)10-4-3-5-11(32-2)14(10)20/h3-8H,1-2H3,(H,27,28,31)
InChIKeyUAGJGHQFSXGZPT-UHFFFAOYSA-N
XLogP5.43
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.78
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(2-chloro-3-methoxyphenyl)-1-methyl-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-3-methoxyphenyl)-1-methyl-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide?
The IUPAC name of 3-(2-chloro-3-methoxyphenyl)-1-methyl-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide (CID 171093843) is 3-(2-chloro-3-methoxyphenyl)-1-methyl-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-chloro-3-methoxyphenyl)-1-methyl-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide?
The canonical SMILES for 3-(2-chloro-3-methoxyphenyl)-1-methyl-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide is COc1cccc(-c2nn(C)c(C(=O)Nc3ccnc(C(F)(F)F)c3)c2C(F)(F)F)c1Cl.
What is the InChIKey of 3-(2-chloro-3-methoxyphenyl)-1-methyl-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide?
The InChIKey is UAGJGHQFSXGZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF6N4O2/c1-30-16(17(31)28-9-6-7-27-12(8-9)18(21,22)23)13(19(24,25)26)15(29-30)10-4-3-5-11(32-2)14(10)20/h3-8H,1-2H3,(H,27,28,31).
What are the key properties of 3-(2-chloro-3-methoxyphenyl)-1-methyl-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide?
3-(2-chloro-3-methoxyphenyl)-1-methyl-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide has a molecular weight of 478.78 g/mol, XLogP of 5.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-3-methoxyphenyl)-1-methyl-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide is sourced from PubChem (CID 171093843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).