1-[3,5-diethyl-1-(3,3,3-trifluoropropyl)pyrazol-4-yl]ethanol

C12H19F3N2O — CID 82697397

IUPAC1-[3,5-diethyl-1-(3,3,3-trifluoropropyl)pyrazol-4-yl]ethanol
SMILESCCc1nn(CCC(F)(F)F)c(CC)c1C(C)O
InChIInChI=1S/C12H19F3N2O/c1-4-9-11(8(3)18)10(5-2)17(16-9)7-6-12(13,14)15/h8,18H,4-7H2,1-3H3
InChIKeyBPCPVXUIPFHHGQ-UHFFFAOYSA-N
MW264.29 g/mol
LogP3.01
Rot. Bonds5

About 1-[3,5-diethyl-1-(3,3,3-trifluoropropyl)pyrazol-4-yl]ethanol

1-[3,5-diethyl-1-(3,3,3-trifluoropropyl)pyrazol-4-yl]ethanol (PubChem CID 82697397) has the molecular formula C12H19F3N2O and a molecular weight of 264.29 g/mol. Its IUPAC name is 1-[3,5-diethyl-1-(3,3,3-trifluoropropyl)pyrazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[3,5-diethyl-1-(3,3,3-trifluoropropyl)pyrazol-4-yl]ethanol
PubChem CID82697397
Molecular FormulaC12H19F3N2O
Molecular Weight264.29 g/mol
Exact Mass264.14
IUPAC Name1-[3,5-diethyl-1-(3,3,3-trifluoropropyl)pyrazol-4-yl]ethanol
SMILESCCc1nn(CCC(F)(F)F)c(CC)c1C(C)O
InChIInChI=1S/C12H19F3N2O/c1-4-9-11(8(3)18)10(5-2)17(16-9)7-6-12(13,14)15/h8,18H,4-7H2,1-3H3
InChIKeyBPCPVXUIPFHHGQ-UHFFFAOYSA-N
XLogP3.01
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3,5-diethyl-1-(3,3,3-trifluoropropyl)pyrazol-4-yl]ethanol?
The IUPAC name of 1-[3,5-diethyl-1-(3,3,3-trifluoropropyl)pyrazol-4-yl]ethanol (CID 82697397) is 1-[3,5-diethyl-1-(3,3,3-trifluoropropyl)pyrazol-4-yl]ethanol.
What is the SMILES notation for 1-[3,5-diethyl-1-(3,3,3-trifluoropropyl)pyrazol-4-yl]ethanol?
The canonical SMILES for 1-[3,5-diethyl-1-(3,3,3-trifluoropropyl)pyrazol-4-yl]ethanol is CCc1nn(CCC(F)(F)F)c(CC)c1C(C)O.
What is the InChIKey of 1-[3,5-diethyl-1-(3,3,3-trifluoropropyl)pyrazol-4-yl]ethanol?
The InChIKey is BPCPVXUIPFHHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O/c1-4-9-11(8(3)18)10(5-2)17(16-9)7-6-12(13,14)15/h8,18H,4-7H2,1-3H3.
What are the key properties of 1-[3,5-diethyl-1-(3,3,3-trifluoropropyl)pyrazol-4-yl]ethanol?
1-[3,5-diethyl-1-(3,3,3-trifluoropropyl)pyrazol-4-yl]ethanol has a molecular weight of 264.29 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-diethyl-1-(3,3,3-trifluoropropyl)pyrazol-4-yl]ethanol is sourced from PubChem (CID 82697397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).