N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide

C17H21F3N4O2 — CID 124860900

About N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide

N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide (PubChem CID 124860900) has the molecular formula C17H21F3N4O2 and a molecular weight of 370.38 g/mol. Its IUPAC name is N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
• PubChem CID: 124860900
• Molecular Formula: C17H21F3N4O2
• Molecular Weight: 370.38 g/mol
• Exact Mass: 370.16
• IUPAC Name: N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
• SMILES: Cc1ccc([C@H](CNC(=O)c2cnn(CC(F)(F)F)c2)N2CCCC2)o1
• InChI: InChI=1S/C17H21F3N4O2/c1-12-4-5-15(26-12)14(23-6-2-3-7-23)9-21-16(25)13-8-22-24(10-13)11-17(18,19)20/h4-5,8,10,14H,2-3,6-7,9,11H2,1H3,(H,21,25)/t14-/m0/s1
• InChIKey: FCCGJVGEDBVWAT-AWEZNQCLSA-N
• XLogP: 2.91
• TPSA: 63.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.38
LogP ≤ 5	2.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?

The IUPAC name of N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide (CID 124860900) is N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide.

What is the SMILES notation for N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?

The canonical SMILES for N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide is Cc1ccc([C@H](CNC(=O)c2cnn(CC(F)(F)F)c2)N2CCCC2)o1.

What is the InChIKey of N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?

The InChIKey is FCCGJVGEDBVWAT-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H21F3N4O2/c1-12-4-5-15(26-12)14(23-6-2-3-7-23)9-21-16(25)13-8-22-24(10-13)11-17(18,19)20/h4-5,8,10,14H,2-3,6-7,9,11H2,1H3,(H,21,25)/t14-/m0/s1.

What are the key properties of N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?

N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide has a molecular weight of 370.38 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 124860900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).