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

C15H19FN2O2 — CID 45486870

IUPAC2-[3,5-diethyl-4-(4-fluorophenoxy)pyrazol-1-yl]ethanol
SMILESCCc1nn(CCO)c(CC)c1Oc1ccc(F)cc1
InChIInChI=1S/C15H19FN2O2/c1-3-13-15(14(4-2)18(17-13)9-10-19)20-12-7-5-11(16)6-8-12/h5-8,19H,3-4,9-10H2,1-2H3
InChIKeyBKUQQDOUANFFDQ-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.93
Rot. Bonds6

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

2-[3,5-diethyl-4-(4-fluorophenoxy)pyrazol-1-yl]ethanol (PubChem CID 45486870) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is 2-[3,5-diethyl-4-(4-fluorophenoxy)pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3,5-diethyl-4-(4-fluorophenoxy)pyrazol-1-yl]ethanol
PubChem CID45486870
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name2-[3,5-diethyl-4-(4-fluorophenoxy)pyrazol-1-yl]ethanol
SMILESCCc1nn(CCO)c(CC)c1Oc1ccc(F)cc1
InChIInChI=1S/C15H19FN2O2/c1-3-13-15(14(4-2)18(17-13)9-10-19)20-12-7-5-11(16)6-8-12/h5-8,19H,3-4,9-10H2,1-2H3
InChIKeyBKUQQDOUANFFDQ-UHFFFAOYSA-N
XLogP2.93
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-diethyl-4-(4-fluorophenoxy)pyrazol-1-yl]ethanol?
The IUPAC name of 2-[3,5-diethyl-4-(4-fluorophenoxy)pyrazol-1-yl]ethanol (CID 45486870) is 2-[3,5-diethyl-4-(4-fluorophenoxy)pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[3,5-diethyl-4-(4-fluorophenoxy)pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[3,5-diethyl-4-(4-fluorophenoxy)pyrazol-1-yl]ethanol is CCc1nn(CCO)c(CC)c1Oc1ccc(F)cc1.
What is the InChIKey of 2-[3,5-diethyl-4-(4-fluorophenoxy)pyrazol-1-yl]ethanol?
The InChIKey is BKUQQDOUANFFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-3-13-15(14(4-2)18(17-13)9-10-19)20-12-7-5-11(16)6-8-12/h5-8,19H,3-4,9-10H2,1-2H3.
What are the key properties of 2-[3,5-diethyl-4-(4-fluorophenoxy)pyrazol-1-yl]ethanol?
2-[3,5-diethyl-4-(4-fluorophenoxy)pyrazol-1-yl]ethanol has a molecular weight of 278.33 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-diethyl-4-(4-fluorophenoxy)pyrazol-1-yl]ethanol is sourced from PubChem (CID 45486870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).