2-cyclohexyl-2-fluoro-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]acetamide

C19H29FN4O2 — CID 166351832

About 2-cyclohexyl-2-fluoro-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]acetamide

2-cyclohexyl-2-fluoro-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]acetamide (PubChem CID 166351832) has the molecular formula C19H29FN4O2 and a molecular weight of 364.47 g/mol. Its IUPAC name is 2-cyclohexyl-2-fluoro-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

• Compound Name: 2-cyclohexyl-2-fluoro-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]acetamide
• PubChem CID: 166351832
• Molecular Formula: C19H29FN4O2
• Molecular Weight: 364.47 g/mol
• Exact Mass: 364.23
• IUPAC Name: 2-cyclohexyl-2-fluoro-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]acetamide
• SMILES: CC(C)c1cc(C(=O)N2CCC(NC(=O)C(F)C3CCCCC3)C2)n[nH]1
• InChI: InChI=1S/C19H29FN4O2/c1-12(2)15-10-16(23-22-15)19(26)24-9-8-14(11-24)21-18(25)17(20)13-6-4-3-5-7-13/h10,12-14,17H,3-9,11H2,1-2H3,(H,21,25)(H,22,23)
• InChIKey: NWDJUKKIRHGHEG-UHFFFAOYSA-N
• XLogP: 2.78
• TPSA: 78.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.47
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-fluoro-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]acetamide?

The IUPAC name of 2-cyclohexyl-2-fluoro-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]acetamide (CID 166351832) is 2-cyclohexyl-2-fluoro-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]acetamide.

What is the SMILES notation for 2-cyclohexyl-2-fluoro-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]acetamide?

The canonical SMILES for 2-cyclohexyl-2-fluoro-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]acetamide is CC(C)c1cc(C(=O)N2CCC(NC(=O)C(F)C3CCCCC3)C2)n[nH]1.

What is the InChIKey of 2-cyclohexyl-2-fluoro-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]acetamide?

The InChIKey is NWDJUKKIRHGHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN4O2/c1-12(2)15-10-16(23-22-15)19(26)24-9-8-14(11-24)21-18(25)17(20)13-6-4-3-5-7-13/h10,12-14,17H,3-9,11H2,1-2H3,(H,21,25)(H,22,23).

What are the key properties of 2-cyclohexyl-2-fluoro-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]acetamide?

2-cyclohexyl-2-fluoro-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]acetamide has a molecular weight of 364.47 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclohexyl-2-fluoro-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 166351832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).