[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone

C15H18N4O3 — CID 135101939

About [(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone

[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone (PubChem CID 135101939) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is [(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone.

Molecular Properties

• Compound Name: [(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
• PubChem CID: 135101939
• Molecular Formula: C15H18N4O3
• Molecular Weight: 302.33 g/mol
• Exact Mass: 302.14
• IUPAC Name: [(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
• SMILES: Cc1cc(C[C@@H]2CN(C(=O)c3ccncc3O)C[C@@H]2O)n[nH]1
• InChI: InChI=1S/C15H18N4O3/c1-9-4-11(18-17-9)5-10-7-19(8-14(10)21)15(22)12-2-3-16-6-13(12)20/h2-4,6,10,14,20-21H,5,7-8H2,1H3,(H,17,18)/t10-,14+/m1/s1
• InChIKey: CGGBQISVZGLEIS-YGRLFVJLSA-N
• XLogP: 0.49
• TPSA: 102.34 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	302.33
LogP ≤ 5	0.49
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone?

The IUPAC name of [(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone (CID 135101939) is [(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone.

What is the SMILES notation for [(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone?

The canonical SMILES for [(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone is Cc1cc(C[C@@H]2CN(C(=O)c3ccncc3O)C[C@@H]2O)n[nH]1.

What is the InChIKey of [(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone?

The InChIKey is CGGBQISVZGLEIS-YGRLFVJLSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-9-4-11(18-17-9)5-10-7-19(8-14(10)21)15(22)12-2-3-16-6-13(12)20/h2-4,6,10,14,20-21H,5,7-8H2,1H3,(H,17,18)/t10-,14+/m1/s1.

What are the key properties of [(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone?

[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone has a molecular weight of 302.33 g/mol, XLogP of 0.49, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone is sourced from PubChem (CID 135101939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).