[1-(difluoromethyl)pyrazol-3-yl]-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone

C15H16F2N4O2 — CID 135087899

IUPAC[1-(difluoromethyl)pyrazol-3-yl]-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccn(C(F)F)n1)N1C[C@@H](Cc2ccncc2)[C@H](O)C1
InChIInChI=1S/C15H16F2N4O2/c16-15(17)21-6-3-12(19-21)14(23)20-8-11(13(22)9-20)7-10-1-4-18-5-2-10/h1-6,11,13,15,22H,7-9H2/t11-,13-/m1/s1
InChIKeyOBKVBOGLSHAZPO-DGCLKSJQSA-N
MW322.31 g/mol
LogP1.35
Rot. Bonds4

About [1-(difluoromethyl)pyrazol-3-yl]-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone

[1-(difluoromethyl)pyrazol-3-yl]-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone (PubChem CID 135087899) has the molecular formula C15H16F2N4O2 and a molecular weight of 322.31 g/mol. Its IUPAC name is [1-(difluoromethyl)pyrazol-3-yl]-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(difluoromethyl)pyrazol-3-yl]-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone
PubChem CID135087899
Molecular FormulaC15H16F2N4O2
Molecular Weight322.31 g/mol
Exact Mass322.12
IUPAC Name[1-(difluoromethyl)pyrazol-3-yl]-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccn(C(F)F)n1)N1C[C@@H](Cc2ccncc2)[C@H](O)C1
InChIInChI=1S/C15H16F2N4O2/c16-15(17)21-6-3-12(19-21)14(23)20-8-11(13(22)9-20)7-10-1-4-18-5-2-10/h1-6,11,13,15,22H,7-9H2/t11-,13-/m1/s1
InChIKeyOBKVBOGLSHAZPO-DGCLKSJQSA-N
XLogP1.35
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.31
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-(difluoromethyl)pyrazol-3-yl]-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(difluoromethyl)pyrazol-3-yl]-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [1-(difluoromethyl)pyrazol-3-yl]-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone (CID 135087899) is [1-(difluoromethyl)pyrazol-3-yl]-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [1-(difluoromethyl)pyrazol-3-yl]-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [1-(difluoromethyl)pyrazol-3-yl]-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone is O=C(c1ccn(C(F)F)n1)N1C[C@@H](Cc2ccncc2)[C@H](O)C1.
What is the InChIKey of [1-(difluoromethyl)pyrazol-3-yl]-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone?
The InChIKey is OBKVBOGLSHAZPO-DGCLKSJQSA-N. The full InChI is InChI=1S/C15H16F2N4O2/c16-15(17)21-6-3-12(19-21)14(23)20-8-11(13(22)9-20)7-10-1-4-18-5-2-10/h1-6,11,13,15,22H,7-9H2/t11-,13-/m1/s1.
What are the key properties of [1-(difluoromethyl)pyrazol-3-yl]-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone?
[1-(difluoromethyl)pyrazol-3-yl]-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone has a molecular weight of 322.31 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(difluoromethyl)pyrazol-3-yl]-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 135087899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).