N-[(1S)-1-cyclohexyl-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]-N-(2-hydroxypropan-2-yl)-2-oxopyrrolidine-1-carboxamide

C27H37N5O4 — CID 156904251

About N-[(1S)-1-cyclohexyl-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]-N-(2-hydroxypropan-2-yl)-2-oxopyrrolidine-1-carboxamide

N-[(1S)-1-cyclohexyl-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]-N-(2-hydroxypropan-2-yl)-2-oxopyrrolidine-1-carboxamide (PubChem CID 156904251) has the molecular formula C27H37N5O4 and a molecular weight of 495.62 g/mol. Its IUPAC name is N-[(1S)-1-cyclohexyl-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]-N-(2-hydroxypropan-2-yl)-2-oxopyrrolidine-1-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-1-cyclohexyl-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]-N-(2-hydroxypropan-2-yl)-2-oxopyrrolidine-1-carboxamide
• PubChem CID: 156904251
• Molecular Formula: C27H37N5O4
• Molecular Weight: 495.62 g/mol
• Exact Mass: 495.28
• IUPAC Name: N-[(1S)-1-cyclohexyl-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]-N-(2-hydroxypropan-2-yl)-2-oxopyrrolidine-1-carboxamide
• SMILES: Cc1n[nH]c(C)c1-c1ccc(NC(=O)[C@H](C2CCCCC2)N(C(=O)N2CCCC2=O)C(C)(C)O)cc1
• InChI: InChI=1S/C27H37N5O4/c1-17-23(18(2)30-29-17)19-12-14-21(15-13-19)28-25(34)24(20-9-6-5-7-10-20)32(27(3,4)36)26(35)31-16-8-11-22(31)33/h12-15,20,24,36H,5-11,16H2,1-4H3,(H,28,34)(H,29,30)/t24-/m0/s1
• InChIKey: KQIMYSSBHSDKSB-DEOSSOPVSA-N
• XLogP: 4.35
• TPSA: 118.63 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.62
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclohexyl-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]-N-(2-hydroxypropan-2-yl)-2-oxopyrrolidine-1-carboxamide?

The IUPAC name of N-[(1S)-1-cyclohexyl-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]-N-(2-hydroxypropan-2-yl)-2-oxopyrrolidine-1-carboxamide (CID 156904251) is N-[(1S)-1-cyclohexyl-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]-N-(2-hydroxypropan-2-yl)-2-oxopyrrolidine-1-carboxamide.

What is the SMILES notation for N-[(1S)-1-cyclohexyl-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]-N-(2-hydroxypropan-2-yl)-2-oxopyrrolidine-1-carboxamide?

The canonical SMILES for N-[(1S)-1-cyclohexyl-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]-N-(2-hydroxypropan-2-yl)-2-oxopyrrolidine-1-carboxamide is Cc1n[nH]c(C)c1-c1ccc(NC(=O)[C@H](C2CCCCC2)N(C(=O)N2CCCC2=O)C(C)(C)O)cc1.

What is the InChIKey of N-[(1S)-1-cyclohexyl-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]-N-(2-hydroxypropan-2-yl)-2-oxopyrrolidine-1-carboxamide?

The InChIKey is KQIMYSSBHSDKSB-DEOSSOPVSA-N. The full InChI is InChI=1S/C27H37N5O4/c1-17-23(18(2)30-29-17)19-12-14-21(15-13-19)28-25(34)24(20-9-6-5-7-10-20)32(27(3,4)36)26(35)31-16-8-11-22(31)33/h12-15,20,24,36H,5-11,16H2,1-4H3,(H,28,34)(H,29,30)/t24-/m0/s1.

What are the key properties of N-[(1S)-1-cyclohexyl-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]-N-(2-hydroxypropan-2-yl)-2-oxopyrrolidine-1-carboxamide?

N-[(1S)-1-cyclohexyl-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]-N-(2-hydroxypropan-2-yl)-2-oxopyrrolidine-1-carboxamide has a molecular weight of 495.62 g/mol, XLogP of 4.35, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-cyclohexyl-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]-N-(2-hydroxypropan-2-yl)-2-oxopyrrolidine-1-carboxamide is sourced from PubChem (CID 156904251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).