3-[[4,5-bis(trifluoromethyl)triazol-2-yl]methyl]-N-[4-chloro-2-(cyclopropylcarbamoyl)-6-methylphenyl]-1-(3-methyl-2-pyridinyl)pyrazole-5-carboxamide

C26H21ClF6N8O2 — CID 88881509

About 3-[[4,5-bis(trifluoromethyl)triazol-2-yl]methyl]-N-[4-chloro-2-(cyclopropylcarbamoyl)-6-methylphenyl]-1-(3-methyl-2-pyridinyl)pyrazole-5-carboxamide

3-[[4,5-bis(trifluoromethyl)triazol-2-yl]methyl]-N-[4-chloro-2-(cyclopropylcarbamoyl)-6-methylphenyl]-1-(3-methyl-2-pyridinyl)pyrazole-5-carboxamide (PubChem CID 88881509) has the molecular formula C26H21ClF6N8O2 and a molecular weight of 626.95 g/mol. Its IUPAC name is 3-[[4,5-bis(trifluoromethyl)triazol-2-yl]methyl]-N-[4-chloro-2-(cyclopropylcarbamoyl)-6-methylphenyl]-1-(3-methyl-2-pyridinyl)pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: 3-[[4,5-bis(trifluoromethyl)triazol-2-yl]methyl]-N-[4-chloro-2-(cyclopropylcarbamoyl)-6-methylphenyl]-1-(3-methyl-2-pyridinyl)pyrazole-5-carboxamide
• PubChem CID: 88881509
• Molecular Formula: C26H21ClF6N8O2
• Molecular Weight: 626.95 g/mol
• Exact Mass: 626.14
• IUPAC Name: 3-[[4,5-bis(trifluoromethyl)triazol-2-yl]methyl]-N-[4-chloro-2-(cyclopropylcarbamoyl)-6-methylphenyl]-1-(3-methyl-2-pyridinyl)pyrazole-5-carboxamide
• SMILES: Cc1cccnc1-n1nc(Cn2nc(C(F)(F)F)c(C(F)(F)F)n2)cc1C(=O)Nc1c(C)cc(Cl)cc1C(=O)NC1CC1
• InChI: InChI=1S/C26H21ClF6N8O2/c1-12-4-3-7-34-22(12)41-18(10-16(37-41)11-40-38-20(25(28,29)30)21(39-40)26(31,32)33)24(43)36-19-13(2)8-14(27)9-17(19)23(42)35-15-5-6-15/h3-4,7-10,15H,5-6,11H2,1-2H3,(H,35,42)(H,36,43)
• InChIKey: GWVUMQQXIJVDQC-UHFFFAOYSA-N
• XLogP: 5.36
• TPSA: 119.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	626.95
LogP ≤ 5	5.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[[4,5-bis(trifluoromethyl)triazol-2-yl]methyl]-N-[4-chloro-2-(cyclopropylcarbamoyl)-6-methylphenyl]-1-(3-methyl-2-pyridinyl)pyrazole-5-carboxamide?

The IUPAC name of 3-[[4,5-bis(trifluoromethyl)triazol-2-yl]methyl]-N-[4-chloro-2-(cyclopropylcarbamoyl)-6-methylphenyl]-1-(3-methyl-2-pyridinyl)pyrazole-5-carboxamide (CID 88881509) is 3-[[4,5-bis(trifluoromethyl)triazol-2-yl]methyl]-N-[4-chloro-2-(cyclopropylcarbamoyl)-6-methylphenyl]-1-(3-methyl-2-pyridinyl)pyrazole-5-carboxamide.

What is the SMILES notation for 3-[[4,5-bis(trifluoromethyl)triazol-2-yl]methyl]-N-[4-chloro-2-(cyclopropylcarbamoyl)-6-methylphenyl]-1-(3-methyl-2-pyridinyl)pyrazole-5-carboxamide?

The canonical SMILES for 3-[[4,5-bis(trifluoromethyl)triazol-2-yl]methyl]-N-[4-chloro-2-(cyclopropylcarbamoyl)-6-methylphenyl]-1-(3-methyl-2-pyridinyl)pyrazole-5-carboxamide is Cc1cccnc1-n1nc(Cn2nc(C(F)(F)F)c(C(F)(F)F)n2)cc1C(=O)Nc1c(C)cc(Cl)cc1C(=O)NC1CC1.

What is the InChIKey of 3-[[4,5-bis(trifluoromethyl)triazol-2-yl]methyl]-N-[4-chloro-2-(cyclopropylcarbamoyl)-6-methylphenyl]-1-(3-methyl-2-pyridinyl)pyrazole-5-carboxamide?

The InChIKey is GWVUMQQXIJVDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClF6N8O2/c1-12-4-3-7-34-22(12)41-18(10-16(37-41)11-40-38-20(25(28,29)30)21(39-40)26(31,32)33)24(43)36-19-13(2)8-14(27)9-17(19)23(42)35-15-5-6-15/h3-4,7-10,15H,5-6,11H2,1-2H3,(H,35,42)(H,36,43).

What are the key properties of 3-[[4,5-bis(trifluoromethyl)triazol-2-yl]methyl]-N-[4-chloro-2-(cyclopropylcarbamoyl)-6-methylphenyl]-1-(3-methyl-2-pyridinyl)pyrazole-5-carboxamide?

3-[[4,5-bis(trifluoromethyl)triazol-2-yl]methyl]-N-[4-chloro-2-(cyclopropylcarbamoyl)-6-methylphenyl]-1-(3-methyl-2-pyridinyl)pyrazole-5-carboxamide has a molecular weight of 626.95 g/mol, XLogP of 5.36, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[4,5-bis(trifluoromethyl)triazol-2-yl]methyl]-N-[4-chloro-2-(cyclopropylcarbamoyl)-6-methylphenyl]-1-(3-methyl-2-pyridinyl)pyrazole-5-carboxamide is sourced from PubChem (CID 88881509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).