(3,3-difluorocyclobutyl)-[1-(oxan-2-yl)pyrazol-4-yl]methanol

C13H18F2N2O2 — CID 163383978

IUPAC(3,3-difluorocyclobutyl)-[1-(oxan-2-yl)pyrazol-4-yl]methanol
SMILESOC(c1cnn(C2CCCCO2)c1)C1CC(F)(F)C1
InChIInChI=1S/C13H18F2N2O2/c14-13(15)5-9(6-13)12(18)10-7-16-17(8-10)11-3-1-2-4-19-11/h7-9,11-12,18H,1-6H2
InChIKeyBCBBNLHLZHWMOF-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.66
Rot. Bonds3

About (3,3-difluorocyclobutyl)-[1-(oxan-2-yl)pyrazol-4-yl]methanol

(3,3-difluorocyclobutyl)-[1-(oxan-2-yl)pyrazol-4-yl]methanol (PubChem CID 163383978) has the molecular formula C13H18F2N2O2 and a molecular weight of 272.30 g/mol. Its IUPAC name is (3,3-difluorocyclobutyl)-[1-(oxan-2-yl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name(3,3-difluorocyclobutyl)-[1-(oxan-2-yl)pyrazol-4-yl]methanol
PubChem CID163383978
Molecular FormulaC13H18F2N2O2
Molecular Weight272.30 g/mol
Exact Mass272.13
IUPAC Name(3,3-difluorocyclobutyl)-[1-(oxan-2-yl)pyrazol-4-yl]methanol
SMILESOC(c1cnn(C2CCCCO2)c1)C1CC(F)(F)C1
InChIInChI=1S/C13H18F2N2O2/c14-13(15)5-9(6-13)12(18)10-7-16-17(8-10)11-3-1-2-4-19-11/h7-9,11-12,18H,1-6H2
InChIKeyBCBBNLHLZHWMOF-UHFFFAOYSA-N
XLogP2.66
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3,3-difluorocyclobutyl)-[1-(oxan-2-yl)pyrazol-4-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

Related Compounds

2-(1-methyl-1H-pyrazol-4-yl)oxan-4-ol
CID 64107266
5,5-Difluoro-2-[1-(oxan-2-yl)pyrazol-4-yl]cyclohexan-1-ol
CID 89962237
trans-(1S,2R)-5,5-difluoro-2-[1-(oxan-2-yl)pyrazol-4-yl]cyclohexan-1-ol
CID 89962238
4,4-Difluoro-1-[1-(methoxymethyl)-1H-pyrazol-4-yl]cyclohexanol
CID 89962338
4,4-Difluoro-1-[1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazol-4-yl]cyclohexanol
CID 89963110
(3R)-1-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)pentane-1,5-diol
CID 135352089
1-(1-Methylpyrazol-4-yl)-3-(trifluoromethyl)pentane-1,5-diol
CID 135352090
(3,3-Difluorocyclobutyl)-[1-(oxan-2-yl)pyrazol-4-yl]methanol;ethane
CID 163383977
1-[1-[3-(2,2,2-Trifluoroethoxy)propyl]pyrazol-4-yl]propan-1-ol
CID 62730735
4,4,4-Trifluoro-1-(1-methylpyrazol-4-yl)butan-1-ol
CID 64566172
4,4,4-Trifluoro-1-(1-propylpyrazol-4-yl)butan-1-ol
CID 79953736
1-(1-Ethylpyrazol-4-yl)-4,4,4-trifluorobutan-1-ol
CID 79954229

Frequently Asked Questions

What is the IUPAC name of (3,3-difluorocyclobutyl)-[1-(oxan-2-yl)pyrazol-4-yl]methanol?
The IUPAC name of (3,3-difluorocyclobutyl)-[1-(oxan-2-yl)pyrazol-4-yl]methanol (CID 163383978) is (3,3-difluorocyclobutyl)-[1-(oxan-2-yl)pyrazol-4-yl]methanol.
What is the SMILES notation for (3,3-difluorocyclobutyl)-[1-(oxan-2-yl)pyrazol-4-yl]methanol?
The canonical SMILES for (3,3-difluorocyclobutyl)-[1-(oxan-2-yl)pyrazol-4-yl]methanol is OC(c1cnn(C2CCCCO2)c1)C1CC(F)(F)C1.
What is the InChIKey of (3,3-difluorocyclobutyl)-[1-(oxan-2-yl)pyrazol-4-yl]methanol?
The InChIKey is BCBBNLHLZHWMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2/c14-13(15)5-9(6-13)12(18)10-7-16-17(8-10)11-3-1-2-4-19-11/h7-9,11-12,18H,1-6H2.
What are the key properties of (3,3-difluorocyclobutyl)-[1-(oxan-2-yl)pyrazol-4-yl]methanol?
(3,3-difluorocyclobutyl)-[1-(oxan-2-yl)pyrazol-4-yl]methanol has a molecular weight of 272.30 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluorocyclobutyl)-[1-(oxan-2-yl)pyrazol-4-yl]methanol is sourced from PubChem (CID 163383978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).