(1S,4S)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-4-(2-oxopropyl)cyclopent-2-ene-1-carboxamide;(1S,4S)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-4-(3,3,3-trifluoro-2-oxopropyl)cyclopent-2-ene-1-carboxamide

C36H35Cl2F3N8O4 — CID 159512308

About (1S,4S)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-4-(2-oxopropyl)cyclopent-2-ene-1-carboxamide;(1S,4S)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-4-(3,3,3-trifluoro-2-oxopropyl)cyclopent-2-ene-1-carboxamide

(1S,4S)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-4-(2-oxopropyl)cyclopent-2-ene-1-carboxamide;(1S,4S)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-4-(3,3,3-trifluoro-2-oxopropyl)cyclopent-2-ene-1-carboxamide (PubChem CID 159512308) has the molecular formula C36H35Cl2F3N8O4 and a molecular weight of 771.63 g/mol. Its IUPAC name is (1S,4S)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-4-(2-oxopropyl)cyclopent-2-ene-1-carboxamide;(1S,4S)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-4-(3,3,3-trifluoro-2-oxopropyl)cyclopent-2-ene-1-carboxamide.

Molecular Properties

• Compound Name: (1S,4S)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-4-(2-oxopropyl)cyclopent-2-ene-1-carboxamide;(1S,4S)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-4-(3,3,3-trifluoro-2-oxopropyl)cyclopent-2-ene-1-carboxamide
• PubChem CID: 159512308
• Molecular Formula: C36H35Cl2F3N8O4
• Molecular Weight: 771.63 g/mol
• Exact Mass: 770.21
• IUPAC Name: (1S,4S)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-4-(2-oxopropyl)cyclopent-2-ene-1-carboxamide;(1S,4S)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-4-(3,3,3-trifluoro-2-oxopropyl)cyclopent-2-ene-1-carboxamide
• SMILES: CC(=O)C[C@H]1C=C[C@@H](C(=O)N(C)c2cn(-c3cccnc3)nc2Cl)C1.CN(C(=O)[C@@H]1C=C[C@H](CC(=O)C(F)(F)F)C1)c1cn(-c2cccnc2)nc1Cl
• InChI: InChI=1S/C18H16ClF3N4O2.C18H19ClN4O2/c1-25(14-10-26(24-16(14)19)13-3-2-6-23-9-13)17(28)12-5-4-11(7-12)8-15(27)18(20,21)22;1-12(24)8-13-5-6-14(9-13)18(25)22(2)16-11-23(21-17(16)19)15-4-3-7-20-10-15/h2-6,9-12H,7-8H2,1H3;3-7,10-11,13-14H,8-9H2,1-2H3/t11-,12+;13-,14-/m01/s1
• InChIKey: MATIFKAZRHHJDH-KHCJMGHGSA-N
• XLogP: 6.65
• TPSA: 136.18 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	771.63
LogP ≤ 5	6.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1S,4S)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-4-(2-oxopropyl)cyclopent-2-ene-1-carboxamide;(1S,4S)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-4-(3,3,3-trifluoro-2-oxopropyl)cyclopent-2-ene-1-carboxamide?

The IUPAC name of (1S,4S)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-4-(2-oxopropyl)cyclopent-2-ene-1-carboxamide;(1S,4S)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-4-(3,3,3-trifluoro-2-oxopropyl)cyclopent-2-ene-1-carboxamide (CID 159512308) is (1S,4S)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-4-(2-oxopropyl)cyclopent-2-ene-1-carboxamide;(1S,4S)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-4-(3,3,3-trifluoro-2-oxopropyl)cyclopent-2-ene-1-carboxamide.

What is the SMILES notation for (1S,4S)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-4-(2-oxopropyl)cyclopent-2-ene-1-carboxamide;(1S,4S)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-4-(3,3,3-trifluoro-2-oxopropyl)cyclopent-2-ene-1-carboxamide?

The canonical SMILES for (1S,4S)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-4-(2-oxopropyl)cyclopent-2-ene-1-carboxamide;(1S,4S)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-4-(3,3,3-trifluoro-2-oxopropyl)cyclopent-2-ene-1-carboxamide is CC(=O)C[C@H]1C=C[C@@H](C(=O)N(C)c2cn(-c3cccnc3)nc2Cl)C1.CN(C(=O)[C@@H]1C=C[C@H](CC(=O)C(F)(F)F)C1)c1cn(-c2cccnc2)nc1Cl.

What is the InChIKey of (1S,4S)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-4-(2-oxopropyl)cyclopent-2-ene-1-carboxamide;(1S,4S)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-4-(3,3,3-trifluoro-2-oxopropyl)cyclopent-2-ene-1-carboxamide?

The InChIKey is MATIFKAZRHHJDH-KHCJMGHGSA-N. The full InChI is InChI=1S/C18H16ClF3N4O2.C18H19ClN4O2/c1-25(14-10-26(24-16(14)19)13-3-2-6-23-9-13)17(28)12-5-4-11(7-12)8-15(27)18(20,21)22;1-12(24)8-13-5-6-14(9-13)18(25)22(2)16-11-23(21-17(16)19)15-4-3-7-20-10-15/h2-6,9-12H,7-8H2,1H3;3-7,10-11,13-14H,8-9H2,1-2H3/t11-,12+;13-,14-/m01/s1.

What are the key properties of (1S,4S)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-4-(2-oxopropyl)cyclopent-2-ene-1-carboxamide;(1S,4S)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-4-(3,3,3-trifluoro-2-oxopropyl)cyclopent-2-ene-1-carboxamide?

(1S,4S)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-4-(2-oxopropyl)cyclopent-2-ene-1-carboxamide;(1S,4S)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-4-(3,3,3-trifluoro-2-oxopropyl)cyclopent-2-ene-1-carboxamide has a molecular weight of 771.63 g/mol, XLogP of 6.65, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (1S,4S)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-4-(2-oxopropyl)cyclopent-2-ene-1-carboxamide;(1S,4S)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-4-(3,3,3-trifluoro-2-oxopropyl)cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 159512308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).