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

C10H14F2N2O2 — CID 66022543

IUPAC5-(difluoromethyl)-2-(2-hydroxycyclohexyl)-1H-pyrazol-3-one
SMILESO=c1cc(C(F)F)[nH]n1C1CCCCC1O
InChIInChI=1S/C10H14F2N2O2/c11-10(12)6-5-9(16)14(13-6)7-3-1-2-4-8(7)15/h5,7-8,10,13,15H,1-4H2
InChIKeySUVCXWYQBXGZJZ-UHFFFAOYSA-N
MW232.23 g/mol
LogP1.59
Rot. Bonds2

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

5-(difluoromethyl)-2-(2-hydroxycyclohexyl)-1H-pyrazol-3-one (PubChem CID 66022543) has the molecular formula C10H14F2N2O2 and a molecular weight of 232.23 g/mol. Its IUPAC name is 5-(difluoromethyl)-2-(2-hydroxycyclohexyl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-(difluoromethyl)-2-(2-hydroxycyclohexyl)-1H-pyrazol-3-one
PubChem CID66022543
Molecular FormulaC10H14F2N2O2
Molecular Weight232.23 g/mol
Exact Mass232.10
IUPAC Name5-(difluoromethyl)-2-(2-hydroxycyclohexyl)-1H-pyrazol-3-one
SMILESO=c1cc(C(F)F)[nH]n1C1CCCCC1O
InChIInChI=1S/C10H14F2N2O2/c11-10(12)6-5-9(16)14(13-6)7-3-1-2-4-8(7)15/h5,7-8,10,13,15H,1-4H2
InChIKeySUVCXWYQBXGZJZ-UHFFFAOYSA-N
XLogP1.59
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-2-(2-hydroxycyclohexyl)-1H-pyrazol-3-one?
The IUPAC name of 5-(difluoromethyl)-2-(2-hydroxycyclohexyl)-1H-pyrazol-3-one (CID 66022543) is 5-(difluoromethyl)-2-(2-hydroxycyclohexyl)-1H-pyrazol-3-one.
What is the SMILES notation for 5-(difluoromethyl)-2-(2-hydroxycyclohexyl)-1H-pyrazol-3-one?
The canonical SMILES for 5-(difluoromethyl)-2-(2-hydroxycyclohexyl)-1H-pyrazol-3-one is O=c1cc(C(F)F)[nH]n1C1CCCCC1O.
What is the InChIKey of 5-(difluoromethyl)-2-(2-hydroxycyclohexyl)-1H-pyrazol-3-one?
The InChIKey is SUVCXWYQBXGZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O2/c11-10(12)6-5-9(16)14(13-6)7-3-1-2-4-8(7)15/h5,7-8,10,13,15H,1-4H2.
What are the key properties of 5-(difluoromethyl)-2-(2-hydroxycyclohexyl)-1H-pyrazol-3-one?
5-(difluoromethyl)-2-(2-hydroxycyclohexyl)-1H-pyrazol-3-one has a molecular weight of 232.23 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-2-(2-hydroxycyclohexyl)-1H-pyrazol-3-one is sourced from PubChem (CID 66022543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).