(2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-3-cyclopropyl-N-[4-[(3R)-3-methylpiperidin-1-yl]-2-(2H-tetrazol-5-yl)phenyl]propanamide

C24H28ClF3N8O — CID 178109641

About (2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-3-cyclopropyl-N-[4-[(3R)-3-methylpiperidin-1-yl]-2-(2H-tetrazol-5-yl)phenyl]propanamide

(2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-3-cyclopropyl-N-[4-[(3R)-3-methylpiperidin-1-yl]-2-(2H-tetrazol-5-yl)phenyl]propanamide (PubChem CID 178109641) has the molecular formula C24H28ClF3N8O and a molecular weight of 536.99 g/mol. Its IUPAC name is (2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-3-cyclopropyl-N-[4-[(3R)-3-methylpiperidin-1-yl]-2-(2H-tetrazol-5-yl)phenyl]propanamide.

Molecular Properties

• Compound Name: (2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-3-cyclopropyl-N-[4-[(3R)-3-methylpiperidin-1-yl]-2-(2H-tetrazol-5-yl)phenyl]propanamide
• PubChem CID: 178109641
• Molecular Formula: C24H28ClF3N8O
• Molecular Weight: 536.99 g/mol
• Exact Mass: 536.20
• IUPAC Name: (2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-3-cyclopropyl-N-[4-[(3R)-3-methylpiperidin-1-yl]-2-(2H-tetrazol-5-yl)phenyl]propanamide
• SMILES: Cc1c(Cl)c(C(F)(F)F)nn1[C@@H](CC1CC1)C(=O)Nc1ccc(N2CCC[C@@H](C)C2)cc1-c1nn[nH]n1
• InChI: InChI=1S/C24H28ClF3N8O/c1-13-4-3-9-35(12-13)16-7-8-18(17(11-16)22-30-33-34-31-22)29-23(37)19(10-15-5-6-15)36-14(2)20(25)21(32-36)24(26,27)28/h7-8,11,13,15,19H,3-6,9-10,12H2,1-2H3,(H,29,37)(H,30,31,33,34)/t13-,19+/m1/s1
• InChIKey: KXVDLUNWHAGNBV-YJYMSZOUSA-N
• XLogP: 5.26
• TPSA: 104.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	536.99
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-3-cyclopropyl-N-[4-[(3R)-3-methylpiperidin-1-yl]-2-(2H-tetrazol-5-yl)phenyl]propanamide?

The IUPAC name of (2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-3-cyclopropyl-N-[4-[(3R)-3-methylpiperidin-1-yl]-2-(2H-tetrazol-5-yl)phenyl]propanamide (CID 178109641) is (2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-3-cyclopropyl-N-[4-[(3R)-3-methylpiperidin-1-yl]-2-(2H-tetrazol-5-yl)phenyl]propanamide.

What is the SMILES notation for (2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-3-cyclopropyl-N-[4-[(3R)-3-methylpiperidin-1-yl]-2-(2H-tetrazol-5-yl)phenyl]propanamide?

The canonical SMILES for (2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-3-cyclopropyl-N-[4-[(3R)-3-methylpiperidin-1-yl]-2-(2H-tetrazol-5-yl)phenyl]propanamide is Cc1c(Cl)c(C(F)(F)F)nn1[C@@H](CC1CC1)C(=O)Nc1ccc(N2CCC[C@@H](C)C2)cc1-c1nn[nH]n1.

What is the InChIKey of (2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-3-cyclopropyl-N-[4-[(3R)-3-methylpiperidin-1-yl]-2-(2H-tetrazol-5-yl)phenyl]propanamide?

The InChIKey is KXVDLUNWHAGNBV-YJYMSZOUSA-N. The full InChI is InChI=1S/C24H28ClF3N8O/c1-13-4-3-9-35(12-13)16-7-8-18(17(11-16)22-30-33-34-31-22)29-23(37)19(10-15-5-6-15)36-14(2)20(25)21(32-36)24(26,27)28/h7-8,11,13,15,19H,3-6,9-10,12H2,1-2H3,(H,29,37)(H,30,31,33,34)/t13-,19+/m1/s1.

What are the key properties of (2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-3-cyclopropyl-N-[4-[(3R)-3-methylpiperidin-1-yl]-2-(2H-tetrazol-5-yl)phenyl]propanamide?

(2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-3-cyclopropyl-N-[4-[(3R)-3-methylpiperidin-1-yl]-2-(2H-tetrazol-5-yl)phenyl]propanamide has a molecular weight of 536.99 g/mol, XLogP of 5.26, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-3-cyclopropyl-N-[4-[(3R)-3-methylpiperidin-1-yl]-2-(2H-tetrazol-5-yl)phenyl]propanamide is sourced from PubChem (CID 178109641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).