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

C15H24F2N2O2 — CID 163383977

IUPAC(3,3-difluorocyclobutyl)-[1-(oxan-2-yl)pyrazol-4-yl]methanol;ethane
SMILESCC.OC(c1cnn(C2CCCCO2)c1)C1CC(F)(F)C1
InChIInChI=1S/C13H18F2N2O2.C2H6/c14-13(15)5-9(6-13)12(18)10-7-16-17(8-10)11-3-1-2-4-19-11;1-2/h7-9,11-12,18H,1-6H2;1-2H3
InChIKeyBMNUVGOEJNBLPF-UHFFFAOYSA-N
MW302.37 g/mol
LogP3.69
Rot. Bonds3

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

(3,3-difluorocyclobutyl)-[1-(oxan-2-yl)pyrazol-4-yl]methanol;ethane (PubChem CID 163383977) has the molecular formula C15H24F2N2O2 and a molecular weight of 302.37 g/mol. Its IUPAC name is (3,3-difluorocyclobutyl)-[1-(oxan-2-yl)pyrazol-4-yl]methanol;ethane.

Molecular Properties

Compound Name(3,3-difluorocyclobutyl)-[1-(oxan-2-yl)pyrazol-4-yl]methanol;ethane
PubChem CID163383977
Molecular FormulaC15H24F2N2O2
Molecular Weight302.37 g/mol
Exact Mass302.18
IUPAC Name(3,3-difluorocyclobutyl)-[1-(oxan-2-yl)pyrazol-4-yl]methanol;ethane
SMILESCC.OC(c1cnn(C2CCCCO2)c1)C1CC(F)(F)C1
InChIInChI=1S/C13H18F2N2O2.C2H6/c14-13(15)5-9(6-13)12(18)10-7-16-17(8-10)11-3-1-2-4-19-11;1-2/h7-9,11-12,18H,1-6H2;1-2H3
InChIKeyBMNUVGOEJNBLPF-UHFFFAOYSA-N
XLogP3.69
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,3-difluorocyclobutyl)-[1-(oxan-2-yl)pyrazol-4-yl]methanol;ethane?
The IUPAC name of (3,3-difluorocyclobutyl)-[1-(oxan-2-yl)pyrazol-4-yl]methanol;ethane (CID 163383977) is (3,3-difluorocyclobutyl)-[1-(oxan-2-yl)pyrazol-4-yl]methanol;ethane.
What is the SMILES notation for (3,3-difluorocyclobutyl)-[1-(oxan-2-yl)pyrazol-4-yl]methanol;ethane?
The canonical SMILES for (3,3-difluorocyclobutyl)-[1-(oxan-2-yl)pyrazol-4-yl]methanol;ethane is CC.OC(c1cnn(C2CCCCO2)c1)C1CC(F)(F)C1.
What is the InChIKey of (3,3-difluorocyclobutyl)-[1-(oxan-2-yl)pyrazol-4-yl]methanol;ethane?
The InChIKey is BMNUVGOEJNBLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2.C2H6/c14-13(15)5-9(6-13)12(18)10-7-16-17(8-10)11-3-1-2-4-19-11;1-2/h7-9,11-12,18H,1-6H2;1-2H3.
What are the key properties of (3,3-difluorocyclobutyl)-[1-(oxan-2-yl)pyrazol-4-yl]methanol;ethane?
(3,3-difluorocyclobutyl)-[1-(oxan-2-yl)pyrazol-4-yl]methanol;ethane has a molecular weight of 302.37 g/mol, XLogP of 3.69, 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;ethane is sourced from PubChem (CID 163383977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).