N-[[(3R)-1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]-2-(1-methylpyrazol-4-yl)acetamide

C18H23ClN4O — CID 124606069

About N-[[(3R)-1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]-2-(1-methylpyrazol-4-yl)acetamide

N-[[(3R)-1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]-2-(1-methylpyrazol-4-yl)acetamide (PubChem CID 124606069) has the molecular formula C18H23ClN4O and a molecular weight of 346.86 g/mol. Its IUPAC name is N-[[(3R)-1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]-2-(1-methylpyrazol-4-yl)acetamide.

Molecular Properties

• Compound Name: N-[[(3R)-1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]-2-(1-methylpyrazol-4-yl)acetamide
• PubChem CID: 124606069
• Molecular Formula: C18H23ClN4O
• Molecular Weight: 346.86 g/mol
• Exact Mass: 346.16
• IUPAC Name: N-[[(3R)-1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]-2-(1-methylpyrazol-4-yl)acetamide
• SMILES: Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)Cc2cnn(C)c2)C1
• InChI: InChI=1S/C18H23ClN4O/c1-13-3-4-16(19)8-17(13)23-6-5-14(12-23)9-20-18(24)7-15-10-21-22(2)11-15/h3-4,8,10-11,14H,5-7,9,12H2,1-2H3,(H,20,24)/t14-/m1/s1
• InChIKey: OWOAIKRHNMVVRZ-CQSZACIVSA-N
• XLogP: 2.57
• TPSA: 50.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	346.86
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]-2-(1-methylpyrazol-4-yl)acetamide?

The IUPAC name of N-[[(3R)-1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]-2-(1-methylpyrazol-4-yl)acetamide (CID 124606069) is N-[[(3R)-1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]-2-(1-methylpyrazol-4-yl)acetamide.

What is the SMILES notation for N-[[(3R)-1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]-2-(1-methylpyrazol-4-yl)acetamide?

The canonical SMILES for N-[[(3R)-1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]-2-(1-methylpyrazol-4-yl)acetamide is Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)Cc2cnn(C)c2)C1.

What is the InChIKey of N-[[(3R)-1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]-2-(1-methylpyrazol-4-yl)acetamide?

The InChIKey is OWOAIKRHNMVVRZ-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23ClN4O/c1-13-3-4-16(19)8-17(13)23-6-5-14(12-23)9-20-18(24)7-15-10-21-22(2)11-15/h3-4,8,10-11,14H,5-7,9,12H2,1-2H3,(H,20,24)/t14-/m1/s1.

What are the key properties of N-[[(3R)-1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]-2-(1-methylpyrazol-4-yl)acetamide?

N-[[(3R)-1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]-2-(1-methylpyrazol-4-yl)acetamide has a molecular weight of 346.86 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(3R)-1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]-2-(1-methylpyrazol-4-yl)acetamide is sourced from PubChem (CID 124606069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).