2-[4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]cyclohexyl]ethanol

C12H19F2N3O — CID 146598814

IUPAC2-[4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]cyclohexyl]ethanol
SMILESNc1cn(C2CCC(CCO)CC2)nc1C(F)F
InChIInChI=1S/C12H19F2N3O/c13-12(14)11-10(15)7-17(16-11)9-3-1-8(2-4-9)5-6-18/h7-9,12,18H,1-6,15H2
InChIKeyMWNIGEQLMJOEGB-UHFFFAOYSA-N
MW259.30 g/mol
LogP2.52
Rot. Bonds4

About 2-[4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]cyclohexyl]ethanol

2-[4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]cyclohexyl]ethanol (PubChem CID 146598814) has the molecular formula C12H19F2N3O and a molecular weight of 259.30 g/mol. Its IUPAC name is 2-[4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]cyclohexyl]ethanol.

Molecular Properties

Compound Name2-[4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]cyclohexyl]ethanol
PubChem CID146598814
Molecular FormulaC12H19F2N3O
Molecular Weight259.30 g/mol
Exact Mass259.15
IUPAC Name2-[4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]cyclohexyl]ethanol
SMILESNc1cn(C2CCC(CCO)CC2)nc1C(F)F
InChIInChI=1S/C12H19F2N3O/c13-12(14)11-10(15)7-17(16-11)9-3-1-8(2-4-9)5-6-18/h7-9,12,18H,1-6,15H2
InChIKeyMWNIGEQLMJOEGB-UHFFFAOYSA-N
XLogP2.52
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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 2-[4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]cyclohexyl]ethanol?
The IUPAC name of 2-[4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]cyclohexyl]ethanol (CID 146598814) is 2-[4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]cyclohexyl]ethanol.
What is the SMILES notation for 2-[4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]cyclohexyl]ethanol?
The canonical SMILES for 2-[4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]cyclohexyl]ethanol is Nc1cn(C2CCC(CCO)CC2)nc1C(F)F.
What is the InChIKey of 2-[4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]cyclohexyl]ethanol?
The InChIKey is MWNIGEQLMJOEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2N3O/c13-12(14)11-10(15)7-17(16-11)9-3-1-8(2-4-9)5-6-18/h7-9,12,18H,1-6,15H2.
What are the key properties of 2-[4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]cyclohexyl]ethanol?
2-[4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]cyclohexyl]ethanol has a molecular weight of 259.30 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]cyclohexyl]ethanol is sourced from PubChem (CID 146598814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).