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

C25H18F6N10O2 — CID 59530431

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

N-[4-cyano-2-(cyclopropylcarbamoyl)-6-methylphenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide (PubChem CID 59530431) has the molecular formula C25H18F6N10O2 and a molecular weight of 604.48 g/mol. Its IUPAC name is N-[4-cyano-2-(cyclopropylcarbamoyl)-6-methylphenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[4-cyano-2-(cyclopropylcarbamoyl)-6-methylphenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide
• PubChem CID: 59530431
• Molecular Formula: C25H18F6N10O2
• Molecular Weight: 604.48 g/mol
• Exact Mass: 604.15
• IUPAC Name: N-[4-cyano-2-(cyclopropylcarbamoyl)-6-methylphenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide
• SMILES: Cc1cc(C#N)cc(C(=O)NC2CC2)c1NC(=O)c1cc(Cn2nnc(C(F)(F)F)n2)nn1-c1ncccc1C(F)(F)F
• InChI: InChI=1S/C25H18F6N10O2/c1-12-7-13(10-32)8-16(21(42)34-14-4-5-14)19(12)35-22(43)18-9-15(11-40-38-23(36-39-40)25(29,30)31)37-41(18)20-17(24(26,27)28)3-2-6-33-20/h2-3,6-9,14H,4-5,11H2,1H3,(H,34,42)(H,35,43)
• InChIKey: AFPDGNAVSJWWAM-UHFFFAOYSA-N
• XLogP: 3.66
• TPSA: 156.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	604.48
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of N-[4-cyano-2-(cyclopropylcarbamoyl)-6-methylphenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide (CID 59530431) is N-[4-cyano-2-(cyclopropylcarbamoyl)-6-methylphenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide.

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

The canonical SMILES for N-[4-cyano-2-(cyclopropylcarbamoyl)-6-methylphenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide is Cc1cc(C#N)cc(C(=O)NC2CC2)c1NC(=O)c1cc(Cn2nnc(C(F)(F)F)n2)nn1-c1ncccc1C(F)(F)F.

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

The InChIKey is AFPDGNAVSJWWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F6N10O2/c1-12-7-13(10-32)8-16(21(42)34-14-4-5-14)19(12)35-22(43)18-9-15(11-40-38-23(36-39-40)25(29,30)31)37-41(18)20-17(24(26,27)28)3-2-6-33-20/h2-3,6-9,14H,4-5,11H2,1H3,(H,34,42)(H,35,43).

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

N-[4-cyano-2-(cyclopropylcarbamoyl)-6-methylphenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide has a molecular weight of 604.48 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-cyano-2-(cyclopropylcarbamoyl)-6-methylphenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 59530431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).