1-[3,5-diethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-yl]ethanol

C14H23F3N2O2 — CID 82698537

IUPAC1-[3,5-diethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-yl]ethanol
SMILESCCc1nn(CCCOCC(F)(F)F)c(CC)c1C(C)O
InChIInChI=1S/C14H23F3N2O2/c1-4-11-13(10(3)20)12(5-2)19(18-11)7-6-8-21-9-14(15,16)17/h10,20H,4-9H2,1-3H3
InChIKeySGYABQXGGORPLS-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.03
Rot. Bonds8

About 1-[3,5-diethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-yl]ethanol

1-[3,5-diethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-yl]ethanol (PubChem CID 82698537) has the molecular formula C14H23F3N2O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 1-[3,5-diethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[3,5-diethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-yl]ethanol
PubChem CID82698537
Molecular FormulaC14H23F3N2O2
Molecular Weight308.34 g/mol
Exact Mass308.17
IUPAC Name1-[3,5-diethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-yl]ethanol
SMILESCCc1nn(CCCOCC(F)(F)F)c(CC)c1C(C)O
InChIInChI=1S/C14H23F3N2O2/c1-4-11-13(10(3)20)12(5-2)19(18-11)7-6-8-21-9-14(15,16)17/h10,20H,4-9H2,1-3H3
InChIKeySGYABQXGGORPLS-UHFFFAOYSA-N
XLogP3.03
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3,5-diethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-yl]ethanol?
The IUPAC name of 1-[3,5-diethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-yl]ethanol (CID 82698537) is 1-[3,5-diethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-yl]ethanol.
What is the SMILES notation for 1-[3,5-diethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-yl]ethanol?
The canonical SMILES for 1-[3,5-diethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-yl]ethanol is CCc1nn(CCCOCC(F)(F)F)c(CC)c1C(C)O.
What is the InChIKey of 1-[3,5-diethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-yl]ethanol?
The InChIKey is SGYABQXGGORPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O2/c1-4-11-13(10(3)20)12(5-2)19(18-11)7-6-8-21-9-14(15,16)17/h10,20H,4-9H2,1-3H3.
What are the key properties of 1-[3,5-diethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-yl]ethanol?
1-[3,5-diethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-yl]ethanol has a molecular weight of 308.34 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-diethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-yl]ethanol is sourced from PubChem (CID 82698537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).