(3S,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-ol

C19H23N5O — CID 135102736

About (3S,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-ol

(3S,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-ol (PubChem CID 135102736) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is (3S,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-ol.

Molecular Properties

• Compound Name: (3S,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-ol
• PubChem CID: 135102736
• Molecular Formula: C19H23N5O
• Molecular Weight: 337.43 g/mol
• Exact Mass: 337.19
• IUPAC Name: (3S,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-ol
• SMILES: Cc1cc(C[C@@H]2CN(Cc3ccccc3-n3cccn3)C[C@H]2O)n[nH]1
• InChI: InChI=1S/C19H23N5O/c1-14-9-17(22-21-14)10-16-12-23(13-19(16)25)11-15-5-2-3-6-18(15)24-8-4-7-20-24/h2-9,16,19,25H,10-13H2,1H3,(H,21,22)/t16-,19-/m1/s1
• InChIKey: YYDZSPSUPWBPDF-VQIMIIECSA-N
• XLogP: 1.94
• TPSA: 69.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	337.43
LogP ≤ 5	1.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-ol?

The IUPAC name of (3S,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-ol (CID 135102736) is (3S,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-ol.

What is the SMILES notation for (3S,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-ol?

The canonical SMILES for (3S,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-ol is Cc1cc(C[C@@H]2CN(Cc3ccccc3-n3cccn3)C[C@H]2O)n[nH]1.

What is the InChIKey of (3S,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-ol?

The InChIKey is YYDZSPSUPWBPDF-VQIMIIECSA-N. The full InChI is InChI=1S/C19H23N5O/c1-14-9-17(22-21-14)10-16-12-23(13-19(16)25)11-15-5-2-3-6-18(15)24-8-4-7-20-24/h2-9,16,19,25H,10-13H2,1H3,(H,21,22)/t16-,19-/m1/s1.

What are the key properties of (3S,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-ol?

(3S,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-ol has a molecular weight of 337.43 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 135102736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).