2-cyclobutyl-5-(difluoromethyl)-1H-pyrazol-3-one

C8H10F2N2O — CID 99110856

IUPAC2-cyclobutyl-5-(difluoromethyl)-1H-pyrazol-3-one
SMILESO=c1cc(C(F)F)[nH]n1C1CCC1
InChIInChI=1S/C8H10F2N2O/c9-8(10)6-4-7(13)12(11-6)5-2-1-3-5/h4-5,8,11H,1-3H2
InChIKeyFYOLKQRNAKJLJP-UHFFFAOYSA-N
MW188.18 g/mol
LogP1.84
Rot. Bonds2

About 2-cyclobutyl-5-(difluoromethyl)-1H-pyrazol-3-one

2-cyclobutyl-5-(difluoromethyl)-1H-pyrazol-3-one (PubChem CID 99110856) has the molecular formula C8H10F2N2O and a molecular weight of 188.18 g/mol. Its IUPAC name is 2-cyclobutyl-5-(difluoromethyl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-cyclobutyl-5-(difluoromethyl)-1H-pyrazol-3-one
PubChem CID99110856
Molecular FormulaC8H10F2N2O
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name2-cyclobutyl-5-(difluoromethyl)-1H-pyrazol-3-one
SMILESO=c1cc(C(F)F)[nH]n1C1CCC1
InChIInChI=1S/C8H10F2N2O/c9-8(10)6-4-7(13)12(11-6)5-2-1-3-5/h4-5,8,11H,1-3H2
InChIKeyFYOLKQRNAKJLJP-UHFFFAOYSA-N
XLogP1.84
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-5-(difluoromethyl)-1H-pyrazol-3-one?
The IUPAC name of 2-cyclobutyl-5-(difluoromethyl)-1H-pyrazol-3-one (CID 99110856) is 2-cyclobutyl-5-(difluoromethyl)-1H-pyrazol-3-one.
What is the SMILES notation for 2-cyclobutyl-5-(difluoromethyl)-1H-pyrazol-3-one?
The canonical SMILES for 2-cyclobutyl-5-(difluoromethyl)-1H-pyrazol-3-one is O=c1cc(C(F)F)[nH]n1C1CCC1.
What is the InChIKey of 2-cyclobutyl-5-(difluoromethyl)-1H-pyrazol-3-one?
The InChIKey is FYOLKQRNAKJLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O/c9-8(10)6-4-7(13)12(11-6)5-2-1-3-5/h4-5,8,11H,1-3H2.
What are the key properties of 2-cyclobutyl-5-(difluoromethyl)-1H-pyrazol-3-one?
2-cyclobutyl-5-(difluoromethyl)-1H-pyrazol-3-one has a molecular weight of 188.18 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-5-(difluoromethyl)-1H-pyrazol-3-one is sourced from PubChem (CID 99110856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).