N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide

C18H24N4O3 — CID 129480939

About N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide

N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide (PubChem CID 129480939) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
• PubChem CID: 129480939
• Molecular Formula: C18H24N4O3
• Molecular Weight: 344.42 g/mol
• Exact Mass: 344.18
• IUPAC Name: N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
• SMILES: COc1cccc([C@H]2C[C@H](O)CN2CC(=O)Nc2c(C)n[nH]c2C)c1
• InChI: InChI=1S/C18H24N4O3/c1-11-18(12(2)21-20-11)19-17(24)10-22-9-14(23)8-16(22)13-5-4-6-15(7-13)25-3/h4-7,14,16,23H,8-10H2,1-3H3,(H,19,24)(H,20,21)/t14-,16+/m0/s1
• InChIKey: CLGLYPYNDULXMN-GOEBONIOSA-N
• XLogP: 1.78
• TPSA: 90.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	344.42
LogP ≤ 5	1.78
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide?

The IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide (CID 129480939) is N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide.

What is the SMILES notation for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide?

The canonical SMILES for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide is COc1cccc([C@H]2C[C@H](O)CN2CC(=O)Nc2c(C)n[nH]c2C)c1.

What is the InChIKey of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide?

The InChIKey is CLGLYPYNDULXMN-GOEBONIOSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-11-18(12(2)21-20-11)19-17(24)10-22-9-14(23)8-16(22)13-5-4-6-15(7-13)25-3/h4-7,14,16,23H,8-10H2,1-3H3,(H,19,24)(H,20,21)/t14-,16+/m0/s1.

What are the key properties of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide?

N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide has a molecular weight of 344.42 g/mol, XLogP of 1.78, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 129480939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).