(2R)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide

C24H31N5O2S — CID 41190766

About (2R)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide

(2R)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide (PubChem CID 41190766) has the molecular formula C24H31N5O2S and a molecular weight of 453.61 g/mol. Its IUPAC name is (2R)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide.

Molecular Properties

• Compound Name: (2R)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide
• PubChem CID: 41190766
• Molecular Formula: C24H31N5O2S
• Molecular Weight: 453.61 g/mol
• Exact Mass: 453.22
• IUPAC Name: (2R)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide
• SMILES: Cc1nc(S[C@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)n(C2CCCC2)c1C
• InChI: InChI=1S/C24H31N5O2S/c1-15-16(2)28(19-11-9-10-12-19)24(25-15)32-18(4)22(30)26-21-17(3)27(5)29(23(21)31)20-13-7-6-8-14-20/h6-8,13-14,18-19H,9-12H2,1-5H3,(H,26,30)/t18-/m1/s1
• InChIKey: HCDUHYXKASPCGH-GOSISDBHSA-N
• XLogP: 4.53
• TPSA: 73.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.61
LogP ≤ 5	4.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide?

The IUPAC name of (2R)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide (CID 41190766) is (2R)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide.

What is the SMILES notation for (2R)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide?

The canonical SMILES for (2R)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide is Cc1nc(S[C@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)n(C2CCCC2)c1C.

What is the InChIKey of (2R)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide?

The InChIKey is HCDUHYXKASPCGH-GOSISDBHSA-N. The full InChI is InChI=1S/C24H31N5O2S/c1-15-16(2)28(19-11-9-10-12-19)24(25-15)32-18(4)22(30)26-21-17(3)27(5)29(23(21)31)20-13-7-6-8-14-20/h6-8,13-14,18-19H,9-12H2,1-5H3,(H,26,30)/t18-/m1/s1.

What are the key properties of (2R)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide?

(2R)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide has a molecular weight of 453.61 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide is sourced from PubChem (CID 41190766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).