1-(3,3-difluorocyclobutyl)-5-(oxolan-3-yl)pyrazole

C11H14F2N2O — CID 141405123

IUPAC1-(3,3-difluorocyclobutyl)-5-(oxolan-3-yl)pyrazole
SMILESFC1(F)CC(n2nccc2C2CCOC2)C1
InChIInChI=1S/C11H14F2N2O/c12-11(13)5-9(6-11)15-10(1-3-14-15)8-2-4-16-7-8/h1,3,8-9H,2,4-7H2
InChIKeyJUFCQQFCLQSBRS-UHFFFAOYSA-N
MW228.24 g/mol
LogP2.36
Rot. Bonds2

About 1-(3,3-difluorocyclobutyl)-5-(oxolan-3-yl)pyrazole

1-(3,3-difluorocyclobutyl)-5-(oxolan-3-yl)pyrazole (PubChem CID 141405123) has the molecular formula C11H14F2N2O and a molecular weight of 228.24 g/mol. Its IUPAC name is 1-(3,3-difluorocyclobutyl)-5-(oxolan-3-yl)pyrazole.

Molecular Properties

Compound Name1-(3,3-difluorocyclobutyl)-5-(oxolan-3-yl)pyrazole
PubChem CID141405123
Molecular FormulaC11H14F2N2O
Molecular Weight228.24 g/mol
Exact Mass228.11
IUPAC Name1-(3,3-difluorocyclobutyl)-5-(oxolan-3-yl)pyrazole
SMILESFC1(F)CC(n2nccc2C2CCOC2)C1
InChIInChI=1S/C11H14F2N2O/c12-11(13)5-9(6-11)15-10(1-3-14-15)8-2-4-16-7-8/h1,3,8-9H,2,4-7H2
InChIKeyJUFCQQFCLQSBRS-UHFFFAOYSA-N
XLogP2.36
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorocyclobutyl)-5-(oxolan-3-yl)pyrazole?
The IUPAC name of 1-(3,3-difluorocyclobutyl)-5-(oxolan-3-yl)pyrazole (CID 141405123) is 1-(3,3-difluorocyclobutyl)-5-(oxolan-3-yl)pyrazole.
What is the SMILES notation for 1-(3,3-difluorocyclobutyl)-5-(oxolan-3-yl)pyrazole?
The canonical SMILES for 1-(3,3-difluorocyclobutyl)-5-(oxolan-3-yl)pyrazole is FC1(F)CC(n2nccc2C2CCOC2)C1.
What is the InChIKey of 1-(3,3-difluorocyclobutyl)-5-(oxolan-3-yl)pyrazole?
The InChIKey is JUFCQQFCLQSBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O/c12-11(13)5-9(6-11)15-10(1-3-14-15)8-2-4-16-7-8/h1,3,8-9H,2,4-7H2.
What are the key properties of 1-(3,3-difluorocyclobutyl)-5-(oxolan-3-yl)pyrazole?
1-(3,3-difluorocyclobutyl)-5-(oxolan-3-yl)pyrazole has a molecular weight of 228.24 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorocyclobutyl)-5-(oxolan-3-yl)pyrazole is sourced from PubChem (CID 141405123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).