[1-(3,3-difluorocyclobutyl)pyrazol-3-yl]methanol

C8H10F2N2O — CID 168728291

IUPAC[1-(3,3-difluorocyclobutyl)pyrazol-3-yl]methanol
SMILESOCc1ccn(C2CC(F)(F)C2)n1
InChIInChI=1S/C8H10F2N2O/c9-8(10)3-7(4-8)12-2-1-6(5-13)11-12/h1-2,7,13H,3-5H2
InChIKeyPHSHXGXNXJAYLG-UHFFFAOYSA-N
MW188.18 g/mol
LogP1.35
Rot. Bonds2

About [1-(3,3-difluorocyclobutyl)pyrazol-3-yl]methanol

[1-(3,3-difluorocyclobutyl)pyrazol-3-yl]methanol (PubChem CID 168728291) has the molecular formula C8H10F2N2O and a molecular weight of 188.18 g/mol. Its IUPAC name is [1-(3,3-difluorocyclobutyl)pyrazol-3-yl]methanol.

Molecular Properties

Compound Name[1-(3,3-difluorocyclobutyl)pyrazol-3-yl]methanol
PubChem CID168728291
Molecular FormulaC8H10F2N2O
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name[1-(3,3-difluorocyclobutyl)pyrazol-3-yl]methanol
SMILESOCc1ccn(C2CC(F)(F)C2)n1
InChIInChI=1S/C8H10F2N2O/c9-8(10)3-7(4-8)12-2-1-6(5-13)11-12/h1-2,7,13H,3-5H2
InChIKeyPHSHXGXNXJAYLG-UHFFFAOYSA-N
XLogP1.35
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-(3,3-difluorocyclobutyl)pyrazol-3-yl]methanol 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-(3,3-difluorocyclobutyl)pyrazol-3-yl]methanol?
The IUPAC name of [1-(3,3-difluorocyclobutyl)pyrazol-3-yl]methanol (CID 168728291) is [1-(3,3-difluorocyclobutyl)pyrazol-3-yl]methanol.
What is the SMILES notation for [1-(3,3-difluorocyclobutyl)pyrazol-3-yl]methanol?
The canonical SMILES for [1-(3,3-difluorocyclobutyl)pyrazol-3-yl]methanol is OCc1ccn(C2CC(F)(F)C2)n1.
What is the InChIKey of [1-(3,3-difluorocyclobutyl)pyrazol-3-yl]methanol?
The InChIKey is PHSHXGXNXJAYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O/c9-8(10)3-7(4-8)12-2-1-6(5-13)11-12/h1-2,7,13H,3-5H2.
What are the key properties of [1-(3,3-difluorocyclobutyl)pyrazol-3-yl]methanol?
[1-(3,3-difluorocyclobutyl)pyrazol-3-yl]methanol has a molecular weight of 188.18 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,3-difluorocyclobutyl)pyrazol-3-yl]methanol is sourced from PubChem (CID 168728291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).