N-(2-carbamoyl-4-cyano-6-methylphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide

C22H14F6N10O2 — CID 59530395

About N-(2-carbamoyl-4-cyano-6-methylphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide

N-(2-carbamoyl-4-cyano-6-methylphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide (PubChem CID 59530395) has the molecular formula C22H14F6N10O2 and a molecular weight of 564.41 g/mol. Its IUPAC name is N-(2-carbamoyl-4-cyano-6-methylphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: N-(2-carbamoyl-4-cyano-6-methylphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide
• PubChem CID: 59530395
• Molecular Formula: C22H14F6N10O2
• Molecular Weight: 564.41 g/mol
• Exact Mass: 564.12
• IUPAC Name: N-(2-carbamoyl-4-cyano-6-methylphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide
• SMILES: Cc1cc(C#N)cc(C(N)=O)c1NC(=O)c1cc(Cn2nnc(C(F)(F)F)n2)nn1-c1ncccc1C(F)(F)F
• InChI: InChI=1S/C22H14F6N10O2/c1-10-5-11(8-29)6-13(17(30)39)16(10)32-19(40)15-7-12(9-37-35-20(33-36-37)22(26,27)28)34-38(15)18-14(21(23,24)25)3-2-4-31-18/h2-7H,9H2,1H3,(H2,30,39)(H,32,40)
• InChIKey: YLSJSRNIBZSPLQ-UHFFFAOYSA-N
• XLogP: 2.87
• TPSA: 170.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	564.41
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamoyl-4-cyano-6-methylphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide?

The IUPAC name of N-(2-carbamoyl-4-cyano-6-methylphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide (CID 59530395) is N-(2-carbamoyl-4-cyano-6-methylphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide.

What is the SMILES notation for N-(2-carbamoyl-4-cyano-6-methylphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide?

The canonical SMILES for N-(2-carbamoyl-4-cyano-6-methylphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide is Cc1cc(C#N)cc(C(N)=O)c1NC(=O)c1cc(Cn2nnc(C(F)(F)F)n2)nn1-c1ncccc1C(F)(F)F.

What is the InChIKey of N-(2-carbamoyl-4-cyano-6-methylphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide?

The InChIKey is YLSJSRNIBZSPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F6N10O2/c1-10-5-11(8-29)6-13(17(30)39)16(10)32-19(40)15-7-12(9-37-35-20(33-36-37)22(26,27)28)34-38(15)18-14(21(23,24)25)3-2-4-31-18/h2-7H,9H2,1H3,(H2,30,39)(H,32,40).

What are the key properties of N-(2-carbamoyl-4-cyano-6-methylphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide?

N-(2-carbamoyl-4-cyano-6-methylphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide has a molecular weight of 564.41 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-carbamoyl-4-cyano-6-methylphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 59530395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).