3-chloro-5-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one

C16H19ClN4O2 — CID 56779568

About 3-chloro-5-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one

3-chloro-5-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 56779568) has the molecular formula C16H19ClN4O2 and a molecular weight of 334.81 g/mol. Its IUPAC name is 3-chloro-5-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 3-chloro-5-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one
• PubChem CID: 56779568
• Molecular Formula: C16H19ClN4O2
• Molecular Weight: 334.81 g/mol
• Exact Mass: 334.12
• IUPAC Name: 3-chloro-5-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one
• SMILES: Cc1cc(C)n(CC2CCCN2C(=O)c2c[nH]c(=O)c(Cl)c2)n1
• InChI: InChI=1S/C16H19ClN4O2/c1-10-6-11(2)21(19-10)9-13-4-3-5-20(13)16(23)12-7-14(17)15(22)18-8-12/h6-8,13H,3-5,9H2,1-2H3,(H,18,22)
• InChIKey: FEMQMUZXNXNUMP-UHFFFAOYSA-N
• XLogP: 2.15
• TPSA: 70.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	334.81
LogP ≤ 5	2.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one?

The IUPAC name of 3-chloro-5-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one (CID 56779568) is 3-chloro-5-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one.

What is the SMILES notation for 3-chloro-5-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one?

The canonical SMILES for 3-chloro-5-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one is Cc1cc(C)n(CC2CCCN2C(=O)c2c[nH]c(=O)c(Cl)c2)n1.

What is the InChIKey of 3-chloro-5-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one?

The InChIKey is FEMQMUZXNXNUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O2/c1-10-6-11(2)21(19-10)9-13-4-3-5-20(13)16(23)12-7-14(17)15(22)18-8-12/h6-8,13H,3-5,9H2,1-2H3,(H,18,22).

What are the key properties of 3-chloro-5-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one?

3-chloro-5-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 334.81 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-5-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 56779568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).