[3-[3-[2-[4-(2-oxopyrrolidin-1-yl)-2-(trifluoromethyl)phenyl]propanoylamino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate

C27H32F3N5O4 — CID 167143056

About [3-[3-[2-[4-(2-oxopyrrolidin-1-yl)-2-(trifluoromethyl)phenyl]propanoylamino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate

[3-[3-[2-[4-(2-oxopyrrolidin-1-yl)-2-(trifluoromethyl)phenyl]propanoylamino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate (PubChem CID 167143056) has the molecular formula C27H32F3N5O4 and a molecular weight of 547.58 g/mol. Its IUPAC name is [3-[3-[2-[4-(2-oxopyrrolidin-1-yl)-2-(trifluoromethyl)phenyl]propanoylamino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate.

Molecular Properties

• Compound Name: [3-[3-[2-[4-(2-oxopyrrolidin-1-yl)-2-(trifluoromethyl)phenyl]propanoylamino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
• PubChem CID: 167143056
• Molecular Formula: C27H32F3N5O4
• Molecular Weight: 547.58 g/mol
• Exact Mass: 547.24
• IUPAC Name: [3-[3-[2-[4-(2-oxopyrrolidin-1-yl)-2-(trifluoromethyl)phenyl]propanoylamino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
• SMILES: CC(C(=O)Nc1cc(C2CCC(OC(=O)NC3(C)CC3)C2)[nH]n1)c1ccc(N2CCCC2=O)cc1C(F)(F)F
• InChI: InChI=1S/C27H32F3N5O4/c1-15(19-8-6-17(13-20(19)27(28,29)30)35-11-3-4-23(35)36)24(37)31-22-14-21(33-34-22)16-5-7-18(12-16)39-25(38)32-26(2)9-10-26/h6,8,13-16,18H,3-5,7,9-12H2,1-2H3,(H,32,38)(H2,31,33,34,37)
• InChIKey: CCXADLXASPNNEM-UHFFFAOYSA-N
• XLogP: 5.21
• TPSA: 116.42 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	547.58
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [3-[3-[2-[4-(2-oxopyrrolidin-1-yl)-2-(trifluoromethyl)phenyl]propanoylamino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?

The IUPAC name of [3-[3-[2-[4-(2-oxopyrrolidin-1-yl)-2-(trifluoromethyl)phenyl]propanoylamino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate (CID 167143056) is [3-[3-[2-[4-(2-oxopyrrolidin-1-yl)-2-(trifluoromethyl)phenyl]propanoylamino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate.

What is the SMILES notation for [3-[3-[2-[4-(2-oxopyrrolidin-1-yl)-2-(trifluoromethyl)phenyl]propanoylamino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?

The canonical SMILES for [3-[3-[2-[4-(2-oxopyrrolidin-1-yl)-2-(trifluoromethyl)phenyl]propanoylamino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate is CC(C(=O)Nc1cc(C2CCC(OC(=O)NC3(C)CC3)C2)[nH]n1)c1ccc(N2CCCC2=O)cc1C(F)(F)F.

What is the InChIKey of [3-[3-[2-[4-(2-oxopyrrolidin-1-yl)-2-(trifluoromethyl)phenyl]propanoylamino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?

The InChIKey is CCXADLXASPNNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32F3N5O4/c1-15(19-8-6-17(13-20(19)27(28,29)30)35-11-3-4-23(35)36)24(37)31-22-14-21(33-34-22)16-5-7-18(12-16)39-25(38)32-26(2)9-10-26/h6,8,13-16,18H,3-5,7,9-12H2,1-2H3,(H,32,38)(H2,31,33,34,37).

What are the key properties of [3-[3-[2-[4-(2-oxopyrrolidin-1-yl)-2-(trifluoromethyl)phenyl]propanoylamino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?

[3-[3-[2-[4-(2-oxopyrrolidin-1-yl)-2-(trifluoromethyl)phenyl]propanoylamino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate has a molecular weight of 547.58 g/mol, XLogP of 5.21, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[3-[2-[4-(2-oxopyrrolidin-1-yl)-2-(trifluoromethyl)phenyl]propanoylamino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate is sourced from PubChem (CID 167143056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).