(6-methyl-3-pyridinyl)-[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone

C15H18N4O3S — CID 124996228

About (6-methyl-3-pyridinyl)-[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone

(6-methyl-3-pyridinyl)-[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone (PubChem CID 124996228) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is (6-methyl-3-pyridinyl)-[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: (6-methyl-3-pyridinyl)-[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
• PubChem CID: 124996228
• Molecular Formula: C15H18N4O3S
• Molecular Weight: 334.40 g/mol
• Exact Mass: 334.11
• IUPAC Name: (6-methyl-3-pyridinyl)-[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
• SMILES: Cc1ccc(C(=O)N2CC[C@H](c3[nH]ncc3S(C)(=O)=O)C2)cn1
• InChI: InChI=1S/C15H18N4O3S/c1-10-3-4-11(7-16-10)15(20)19-6-5-12(9-19)14-13(8-17-18-14)23(2,21)22/h3-4,7-8,12H,5-6,9H2,1-2H3,(H,17,18)/t12-/m0/s1
• InChIKey: QRPRCGYQRAPKOD-LBPRGKRZSA-N
• XLogP: 1.15
• TPSA: 96.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	334.40
LogP ≤ 5	1.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (6-methyl-3-pyridinyl)-[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?

The IUPAC name of (6-methyl-3-pyridinyl)-[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone (CID 124996228) is (6-methyl-3-pyridinyl)-[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone.

What is the SMILES notation for (6-methyl-3-pyridinyl)-[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?

The canonical SMILES for (6-methyl-3-pyridinyl)-[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone is Cc1ccc(C(=O)N2CC[C@H](c3[nH]ncc3S(C)(=O)=O)C2)cn1.

What is the InChIKey of (6-methyl-3-pyridinyl)-[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?

The InChIKey is QRPRCGYQRAPKOD-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-10-3-4-11(7-16-10)15(20)19-6-5-12(9-19)14-13(8-17-18-14)23(2,21)22/h3-4,7-8,12H,5-6,9H2,1-2H3,(H,17,18)/t12-/m0/s1.

What are the key properties of (6-methyl-3-pyridinyl)-[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?

(6-methyl-3-pyridinyl)-[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone has a molecular weight of 334.40 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (6-methyl-3-pyridinyl)-[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 124996228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).