2-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(3,3,3-trifluoropropylcarbamoyl)phenyl]-5-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]-3,4-dihydropyrazole-3-carboxamide

C24H19ClF6N10O2 — CID 88855737

About 2-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(3,3,3-trifluoropropylcarbamoyl)phenyl]-5-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]-3,4-dihydropyrazole-3-carboxamide

2-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(3,3,3-trifluoropropylcarbamoyl)phenyl]-5-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]-3,4-dihydropyrazole-3-carboxamide (PubChem CID 88855737) has the molecular formula C24H19ClF6N10O2 and a molecular weight of 628.93 g/mol. Its IUPAC name is 2-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(3,3,3-trifluoropropylcarbamoyl)phenyl]-5-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]-3,4-dihydropyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 2-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(3,3,3-trifluoropropylcarbamoyl)phenyl]-5-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]-3,4-dihydropyrazole-3-carboxamide
• PubChem CID: 88855737
• Molecular Formula: C24H19ClF6N10O2
• Molecular Weight: 628.93 g/mol
• Exact Mass: 628.13
• IUPAC Name: 2-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(3,3,3-trifluoropropylcarbamoyl)phenyl]-5-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]-3,4-dihydropyrazole-3-carboxamide
• SMILES: Cc1cc(C#N)cc(C(=O)NCCC(F)(F)F)c1NC(=O)C1CC(Cn2nnc(C(F)(F)F)n2)=NN1c1ncccc1Cl
• InChI: InChI=1S/C24H19ClF6N10O2/c1-12-7-13(10-32)8-15(20(42)34-6-4-23(26,27)28)18(12)35-21(43)17-9-14(11-40-38-22(36-39-40)24(29,30)31)37-41(17)19-16(25)3-2-5-33-19/h2-3,5,7-8,17H,4,6,9,11H2,1H3,(H,34,42)(H,35,43)
• InChIKey: PTKPEZCXPMEJQH-UHFFFAOYSA-N
• XLogP: 3.88
• TPSA: 154.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	628.93
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(3,3,3-trifluoropropylcarbamoyl)phenyl]-5-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]-3,4-dihydropyrazole-3-carboxamide?

The IUPAC name of 2-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(3,3,3-trifluoropropylcarbamoyl)phenyl]-5-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]-3,4-dihydropyrazole-3-carboxamide (CID 88855737) is 2-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(3,3,3-trifluoropropylcarbamoyl)phenyl]-5-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]-3,4-dihydropyrazole-3-carboxamide.

What is the SMILES notation for 2-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(3,3,3-trifluoropropylcarbamoyl)phenyl]-5-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]-3,4-dihydropyrazole-3-carboxamide?

The canonical SMILES for 2-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(3,3,3-trifluoropropylcarbamoyl)phenyl]-5-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]-3,4-dihydropyrazole-3-carboxamide is Cc1cc(C#N)cc(C(=O)NCCC(F)(F)F)c1NC(=O)C1CC(Cn2nnc(C(F)(F)F)n2)=NN1c1ncccc1Cl.

What is the InChIKey of 2-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(3,3,3-trifluoropropylcarbamoyl)phenyl]-5-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]-3,4-dihydropyrazole-3-carboxamide?

The InChIKey is PTKPEZCXPMEJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClF6N10O2/c1-12-7-13(10-32)8-15(20(42)34-6-4-23(26,27)28)18(12)35-21(43)17-9-14(11-40-38-22(36-39-40)24(29,30)31)37-41(17)19-16(25)3-2-5-33-19/h2-3,5,7-8,17H,4,6,9,11H2,1H3,(H,34,42)(H,35,43).

What are the key properties of 2-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(3,3,3-trifluoropropylcarbamoyl)phenyl]-5-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]-3,4-dihydropyrazole-3-carboxamide?

2-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(3,3,3-trifluoropropylcarbamoyl)phenyl]-5-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]-3,4-dihydropyrazole-3-carboxamide has a molecular weight of 628.93 g/mol, XLogP of 3.88, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(3,3,3-trifluoropropylcarbamoyl)phenyl]-5-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]-3,4-dihydropyrazole-3-carboxamide is sourced from PubChem (CID 88855737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).