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

C10H14F2N2O — CID 66021496

IUPAC2-cyclohexyl-5-(difluoromethyl)-1H-pyrazol-3-one
SMILESO=c1cc(C(F)F)[nH]n1C1CCCCC1
InChIInChI=1S/C10H14F2N2O/c11-10(12)8-6-9(15)14(13-8)7-4-2-1-3-5-7/h6-7,10,13H,1-5H2
InChIKeyHEUDOWNTNWJGBK-UHFFFAOYSA-N
MW216.23 g/mol
LogP2.62
Rot. Bonds2

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

2-cyclohexyl-5-(difluoromethyl)-1H-pyrazol-3-one (PubChem CID 66021496) has the molecular formula C10H14F2N2O and a molecular weight of 216.23 g/mol. Its IUPAC name is 2-cyclohexyl-5-(difluoromethyl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-cyclohexyl-5-(difluoromethyl)-1H-pyrazol-3-one
PubChem CID66021496
Molecular FormulaC10H14F2N2O
Molecular Weight216.23 g/mol
Exact Mass216.11
IUPAC Name2-cyclohexyl-5-(difluoromethyl)-1H-pyrazol-3-one
SMILESO=c1cc(C(F)F)[nH]n1C1CCCCC1
InChIInChI=1S/C10H14F2N2O/c11-10(12)8-6-9(15)14(13-8)7-4-2-1-3-5-7/h6-7,10,13H,1-5H2
InChIKeyHEUDOWNTNWJGBK-UHFFFAOYSA-N
XLogP2.62
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-(difluoromethyl)-1H-pyrazol-3-one?
The IUPAC name of 2-cyclohexyl-5-(difluoromethyl)-1H-pyrazol-3-one (CID 66021496) is 2-cyclohexyl-5-(difluoromethyl)-1H-pyrazol-3-one.
What is the SMILES notation for 2-cyclohexyl-5-(difluoromethyl)-1H-pyrazol-3-one?
The canonical SMILES for 2-cyclohexyl-5-(difluoromethyl)-1H-pyrazol-3-one is O=c1cc(C(F)F)[nH]n1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-5-(difluoromethyl)-1H-pyrazol-3-one?
The InChIKey is HEUDOWNTNWJGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O/c11-10(12)8-6-9(15)14(13-8)7-4-2-1-3-5-7/h6-7,10,13H,1-5H2.
What are the key properties of 2-cyclohexyl-5-(difluoromethyl)-1H-pyrazol-3-one?
2-cyclohexyl-5-(difluoromethyl)-1H-pyrazol-3-one has a molecular weight of 216.23 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-(difluoromethyl)-1H-pyrazol-3-one is sourced from PubChem (CID 66021496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).