3-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclobutane-1-carboxamide

C17H26N4O2 — CID 121279749

About 3-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclobutane-1-carboxamide

3-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclobutane-1-carboxamide (PubChem CID 121279749) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 3-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclobutane-1-carboxamide.

Molecular Properties

• Compound Name: 3-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclobutane-1-carboxamide
• PubChem CID: 121279749
• Molecular Formula: C17H26N4O2
• Molecular Weight: 318.42 g/mol
• Exact Mass: 318.21
• IUPAC Name: 3-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclobutane-1-carboxamide
• SMILES: CC1CC(C(=O)NC2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)C1
• InChI: InChI=1S/C17H26N4O2/c1-10(2)14-8-15(20-19-14)17(23)21-5-4-13(9-21)18-16(22)12-6-11(3)7-12/h8,10-13H,4-7,9H2,1-3H3,(H,18,22)(H,19,20)
• InChIKey: BFBPTAWZLABJLQ-UHFFFAOYSA-N
• XLogP: 1.91
• TPSA: 78.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	318.42
LogP ≤ 5	1.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclobutane-1-carboxamide?

The IUPAC name of 3-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclobutane-1-carboxamide (CID 121279749) is 3-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclobutane-1-carboxamide.

What is the SMILES notation for 3-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclobutane-1-carboxamide?

The canonical SMILES for 3-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclobutane-1-carboxamide is CC1CC(C(=O)NC2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)C1.

What is the InChIKey of 3-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclobutane-1-carboxamide?

The InChIKey is BFBPTAWZLABJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-10(2)14-8-15(20-19-14)17(23)21-5-4-13(9-21)18-16(22)12-6-11(3)7-12/h8,10-13H,4-7,9H2,1-3H3,(H,18,22)(H,19,20).

What are the key properties of 3-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclobutane-1-carboxamide?

3-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclobutane-1-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclobutane-1-carboxamide is sourced from PubChem (CID 121279749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).