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

C11H17F3N2O — CID 82696973

IUPAC[3,5-diethyl-1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methanol
SMILESCCc1nn(CCC(F)(F)F)c(CC)c1CO
InChIInChI=1S/C11H17F3N2O/c1-3-9-8(7-17)10(4-2)16(15-9)6-5-11(12,13)14/h17H,3-7H2,1-2H3
InChIKeyRQOHVKJZZVXQFF-UHFFFAOYSA-N
MW250.26 g/mol
LogP2.45
Rot. Bonds5

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

[3,5-diethyl-1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methanol (PubChem CID 82696973) has the molecular formula C11H17F3N2O and a molecular weight of 250.26 g/mol. Its IUPAC name is [3,5-diethyl-1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[3,5-diethyl-1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methanol
PubChem CID82696973
Molecular FormulaC11H17F3N2O
Molecular Weight250.26 g/mol
Exact Mass250.13
IUPAC Name[3,5-diethyl-1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methanol
SMILESCCc1nn(CCC(F)(F)F)c(CC)c1CO
InChIInChI=1S/C11H17F3N2O/c1-3-9-8(7-17)10(4-2)16(15-9)6-5-11(12,13)14/h17H,3-7H2,1-2H3
InChIKeyRQOHVKJZZVXQFF-UHFFFAOYSA-N
XLogP2.45
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3,5-diethyl-1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methanol?
The IUPAC name of [3,5-diethyl-1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methanol (CID 82696973) is [3,5-diethyl-1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methanol.
What is the SMILES notation for [3,5-diethyl-1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methanol?
The canonical SMILES for [3,5-diethyl-1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methanol is CCc1nn(CCC(F)(F)F)c(CC)c1CO.
What is the InChIKey of [3,5-diethyl-1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methanol?
The InChIKey is RQOHVKJZZVXQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O/c1-3-9-8(7-17)10(4-2)16(15-9)6-5-11(12,13)14/h17H,3-7H2,1-2H3.
What are the key properties of [3,5-diethyl-1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methanol?
[3,5-diethyl-1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methanol has a molecular weight of 250.26 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-diethyl-1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methanol is sourced from PubChem (CID 82696973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).