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

C24H21ClF3N9O2 — CID 59530315

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

1-(3-chloro-2-pyridinyl)-N-[2-(cyclopropylcarbamoyl)-4,6-dimethylphenyl]-3-[[5-(trifluoromethyl)tetrazol-1-yl]methyl]pyrazole-5-carboxamide (PubChem CID 59530315) has the molecular formula C24H21ClF3N9O2 and a molecular weight of 559.94 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)-N-[2-(cyclopropylcarbamoyl)-4,6-dimethylphenyl]-3-[[5-(trifluoromethyl)tetrazol-1-yl]methyl]pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: 1-(3-chloro-2-pyridinyl)-N-[2-(cyclopropylcarbamoyl)-4,6-dimethylphenyl]-3-[[5-(trifluoromethyl)tetrazol-1-yl]methyl]pyrazole-5-carboxamide
• PubChem CID: 59530315
• Molecular Formula: C24H21ClF3N9O2
• Molecular Weight: 559.94 g/mol
• Exact Mass: 559.15
• IUPAC Name: 1-(3-chloro-2-pyridinyl)-N-[2-(cyclopropylcarbamoyl)-4,6-dimethylphenyl]-3-[[5-(trifluoromethyl)tetrazol-1-yl]methyl]pyrazole-5-carboxamide
• SMILES: Cc1cc(C)c(NC(=O)c2cc(Cn3nnnc3C(F)(F)F)nn2-c2ncccc2Cl)c(C(=O)NC2CC2)c1
• InChI: InChI=1S/C24H21ClF3N9O2/c1-12-8-13(2)19(16(9-12)21(38)30-14-5-6-14)31-22(39)18-10-15(11-36-23(24(26,27)28)32-34-35-36)33-37(18)20-17(25)4-3-7-29-20/h3-4,7-10,14H,5-6,11H2,1-2H3,(H,30,38)(H,31,39)
• InChIKey: TWRKRJFWUHOLKE-UHFFFAOYSA-N
• XLogP: 3.74
• TPSA: 132.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	559.94
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 1-(3-chloro-2-pyridinyl)-N-[2-(cyclopropylcarbamoyl)-4,6-dimethylphenyl]-3-[[5-(trifluoromethyl)tetrazol-1-yl]methyl]pyrazole-5-carboxamide (CID 59530315) is 1-(3-chloro-2-pyridinyl)-N-[2-(cyclopropylcarbamoyl)-4,6-dimethylphenyl]-3-[[5-(trifluoromethyl)tetrazol-1-yl]methyl]pyrazole-5-carboxamide.

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

The canonical SMILES for 1-(3-chloro-2-pyridinyl)-N-[2-(cyclopropylcarbamoyl)-4,6-dimethylphenyl]-3-[[5-(trifluoromethyl)tetrazol-1-yl]methyl]pyrazole-5-carboxamide is Cc1cc(C)c(NC(=O)c2cc(Cn3nnnc3C(F)(F)F)nn2-c2ncccc2Cl)c(C(=O)NC2CC2)c1.

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

The InChIKey is TWRKRJFWUHOLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClF3N9O2/c1-12-8-13(2)19(16(9-12)21(38)30-14-5-6-14)31-22(39)18-10-15(11-36-23(24(26,27)28)32-34-35-36)33-37(18)20-17(25)4-3-7-29-20/h3-4,7-10,14H,5-6,11H2,1-2H3,(H,30,38)(H,31,39).

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

1-(3-chloro-2-pyridinyl)-N-[2-(cyclopropylcarbamoyl)-4,6-dimethylphenyl]-3-[[5-(trifluoromethyl)tetrazol-1-yl]methyl]pyrazole-5-carboxamide has a molecular weight of 559.94 g/mol, XLogP of 3.74, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-chloro-2-pyridinyl)-N-[2-(cyclopropylcarbamoyl)-4,6-dimethylphenyl]-3-[[5-(trifluoromethyl)tetrazol-1-yl]methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 59530315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).