1-[4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]cyclohexyl]ethanol

C12H19F2N3O — CID 146599771

IUPAC1-[4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]cyclohexyl]ethanol
SMILESCC(O)C1CCC(n2cc(N)c(C(F)F)n2)CC1
InChIInChI=1S/C12H19F2N3O/c1-7(18)8-2-4-9(5-3-8)17-6-10(15)11(16-17)12(13)14/h6-9,12,18H,2-5,15H2,1H3
InChIKeyFACTXTRBSIDPTQ-UHFFFAOYSA-N
MW259.30 g/mol
LogP2.52
Rot. Bonds3

About 1-[4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]cyclohexyl]ethanol

1-[4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]cyclohexyl]ethanol (PubChem CID 146599771) has the molecular formula C12H19F2N3O and a molecular weight of 259.30 g/mol. Its IUPAC name is 1-[4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]cyclohexyl]ethanol.

Molecular Properties

Compound Name1-[4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]cyclohexyl]ethanol
PubChem CID146599771
Molecular FormulaC12H19F2N3O
Molecular Weight259.30 g/mol
Exact Mass259.15
IUPAC Name1-[4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]cyclohexyl]ethanol
SMILESCC(O)C1CCC(n2cc(N)c(C(F)F)n2)CC1
InChIInChI=1S/C12H19F2N3O/c1-7(18)8-2-4-9(5-3-8)17-6-10(15)11(16-17)12(13)14/h6-9,12,18H,2-5,15H2,1H3
InChIKeyFACTXTRBSIDPTQ-UHFFFAOYSA-N
XLogP2.52
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]cyclohexyl]ethanol?
The IUPAC name of 1-[4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]cyclohexyl]ethanol (CID 146599771) is 1-[4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]cyclohexyl]ethanol.
What is the SMILES notation for 1-[4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]cyclohexyl]ethanol?
The canonical SMILES for 1-[4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]cyclohexyl]ethanol is CC(O)C1CCC(n2cc(N)c(C(F)F)n2)CC1.
What is the InChIKey of 1-[4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]cyclohexyl]ethanol?
The InChIKey is FACTXTRBSIDPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2N3O/c1-7(18)8-2-4-9(5-3-8)17-6-10(15)11(16-17)12(13)14/h6-9,12,18H,2-5,15H2,1H3.
What are the key properties of 1-[4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]cyclohexyl]ethanol?
1-[4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]cyclohexyl]ethanol has a molecular weight of 259.30 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]cyclohexyl]ethanol is sourced from PubChem (CID 146599771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).