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

C19H20Cl2F3N3O — CID 24658636

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

5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-[3-(trifluoromethyl)cyclohexyl]pyrazole-4-carboxamide (PubChem CID 24658636) has the molecular formula C19H20Cl2F3N3O and a molecular weight of 434.29 g/mol. Its IUPAC name is 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-[3-(trifluoromethyl)cyclohexyl]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-[3-(trifluoromethyl)cyclohexyl]pyrazole-4-carboxamide
• PubChem CID: 24658636
• Molecular Formula: C19H20Cl2F3N3O
• Molecular Weight: 434.29 g/mol
• Exact Mass: 433.09
• IUPAC Name: 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-[3-(trifluoromethyl)cyclohexyl]pyrazole-4-carboxamide
• SMILES: Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)NC1CCCC(C(F)(F)F)C1
• InChI: InChI=1S/C19H20Cl2F3N3O/c1-11-16(17(21)27(26-11)10-12-5-2-3-8-15(12)20)18(28)25-14-7-4-6-13(9-14)19(22,23)24/h2-3,5,8,13-14H,4,6-7,9-10H2,1H3,(H,25,28)
• InChIKey: IICQOHWWOOBZBS-UHFFFAOYSA-N
• XLogP: 5.40
• TPSA: 46.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	434.29
LogP ≤ 5	5.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-[3-(trifluoromethyl)cyclohexyl]pyrazole-4-carboxamide?

The IUPAC name of 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-[3-(trifluoromethyl)cyclohexyl]pyrazole-4-carboxamide (CID 24658636) is 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-[3-(trifluoromethyl)cyclohexyl]pyrazole-4-carboxamide.

What is the SMILES notation for 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-[3-(trifluoromethyl)cyclohexyl]pyrazole-4-carboxamide?

The canonical SMILES for 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-[3-(trifluoromethyl)cyclohexyl]pyrazole-4-carboxamide is Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)NC1CCCC(C(F)(F)F)C1.

What is the InChIKey of 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-[3-(trifluoromethyl)cyclohexyl]pyrazole-4-carboxamide?

The InChIKey is IICQOHWWOOBZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2F3N3O/c1-11-16(17(21)27(26-11)10-12-5-2-3-8-15(12)20)18(28)25-14-7-4-6-13(9-14)19(22,23)24/h2-3,5,8,13-14H,4,6-7,9-10H2,1H3,(H,25,28).

What are the key properties of 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-[3-(trifluoromethyl)cyclohexyl]pyrazole-4-carboxamide?

5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-[3-(trifluoromethyl)cyclohexyl]pyrazole-4-carboxamide has a molecular weight of 434.29 g/mol, XLogP of 5.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-[3-(trifluoromethyl)cyclohexyl]pyrazole-4-carboxamide is sourced from PubChem (CID 24658636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).