1-(3-fluorocyclobutyl)-4-(oxan-2-yl)pyrazole

C12H17FN2O — CID 166122182

IUPAC1-(3-fluorocyclobutyl)-4-(oxan-2-yl)pyrazole
SMILESFC1CC(n2cc(C3CCCCO3)cn2)C1
InChIInChI=1S/C12H17FN2O/c13-10-5-11(6-10)15-8-9(7-14-15)12-3-1-2-4-16-12/h7-8,10-12H,1-6H2
InChIKeyNPBVDWWZYKQSBN-UHFFFAOYSA-N
MW224.28 g/mol
LogP2.80
Rot. Bonds2

About 1-(3-fluorocyclobutyl)-4-(oxan-2-yl)pyrazole

1-(3-fluorocyclobutyl)-4-(oxan-2-yl)pyrazole (PubChem CID 166122182) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 1-(3-fluorocyclobutyl)-4-(oxan-2-yl)pyrazole.

Molecular Properties

Compound Name1-(3-fluorocyclobutyl)-4-(oxan-2-yl)pyrazole
PubChem CID166122182
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name1-(3-fluorocyclobutyl)-4-(oxan-2-yl)pyrazole
SMILESFC1CC(n2cc(C3CCCCO3)cn2)C1
InChIInChI=1S/C12H17FN2O/c13-10-5-11(6-10)15-8-9(7-14-15)12-3-1-2-4-16-12/h7-8,10-12H,1-6H2
InChIKeyNPBVDWWZYKQSBN-UHFFFAOYSA-N
XLogP2.80
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorocyclobutyl)-4-(oxan-2-yl)pyrazole?
The IUPAC name of 1-(3-fluorocyclobutyl)-4-(oxan-2-yl)pyrazole (CID 166122182) is 1-(3-fluorocyclobutyl)-4-(oxan-2-yl)pyrazole.
What is the SMILES notation for 1-(3-fluorocyclobutyl)-4-(oxan-2-yl)pyrazole?
The canonical SMILES for 1-(3-fluorocyclobutyl)-4-(oxan-2-yl)pyrazole is FC1CC(n2cc(C3CCCCO3)cn2)C1.
What is the InChIKey of 1-(3-fluorocyclobutyl)-4-(oxan-2-yl)pyrazole?
The InChIKey is NPBVDWWZYKQSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c13-10-5-11(6-10)15-8-9(7-14-15)12-3-1-2-4-16-12/h7-8,10-12H,1-6H2.
What are the key properties of 1-(3-fluorocyclobutyl)-4-(oxan-2-yl)pyrazole?
1-(3-fluorocyclobutyl)-4-(oxan-2-yl)pyrazole has a molecular weight of 224.28 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorocyclobutyl)-4-(oxan-2-yl)pyrazole is sourced from PubChem (CID 166122182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).