2-[4-(2,4-difluorophenoxy)-3,5-diethylpyrazol-1-yl]ethanol

C15H18F2N2O2 — CID 45486872

IUPAC2-[4-(2,4-difluorophenoxy)-3,5-diethylpyrazol-1-yl]ethanol
SMILESCCc1nn(CCO)c(CC)c1Oc1ccc(F)cc1F
InChIInChI=1S/C15H18F2N2O2/c1-3-12-15(13(4-2)19(18-12)7-8-20)21-14-6-5-10(16)9-11(14)17/h5-6,9,20H,3-4,7-8H2,1-2H3
InChIKeyJZZVRVUZKQKVCK-UHFFFAOYSA-N
MW296.32 g/mol
LogP3.07
Rot. Bonds6

About 2-[4-(2,4-difluorophenoxy)-3,5-diethylpyrazol-1-yl]ethanol

2-[4-(2,4-difluorophenoxy)-3,5-diethylpyrazol-1-yl]ethanol (PubChem CID 45486872) has the molecular formula C15H18F2N2O2 and a molecular weight of 296.32 g/mol. Its IUPAC name is 2-[4-(2,4-difluorophenoxy)-3,5-diethylpyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(2,4-difluorophenoxy)-3,5-diethylpyrazol-1-yl]ethanol
PubChem CID45486872
Molecular FormulaC15H18F2N2O2
Molecular Weight296.32 g/mol
Exact Mass296.13
IUPAC Name2-[4-(2,4-difluorophenoxy)-3,5-diethylpyrazol-1-yl]ethanol
SMILESCCc1nn(CCO)c(CC)c1Oc1ccc(F)cc1F
InChIInChI=1S/C15H18F2N2O2/c1-3-12-15(13(4-2)19(18-12)7-8-20)21-14-6-5-10(16)9-11(14)17/h5-6,9,20H,3-4,7-8H2,1-2H3
InChIKeyJZZVRVUZKQKVCK-UHFFFAOYSA-N
XLogP3.07
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-difluorophenoxy)-3,5-diethylpyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-(2,4-difluorophenoxy)-3,5-diethylpyrazol-1-yl]ethanol (CID 45486872) is 2-[4-(2,4-difluorophenoxy)-3,5-diethylpyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-(2,4-difluorophenoxy)-3,5-diethylpyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-(2,4-difluorophenoxy)-3,5-diethylpyrazol-1-yl]ethanol is CCc1nn(CCO)c(CC)c1Oc1ccc(F)cc1F.
What is the InChIKey of 2-[4-(2,4-difluorophenoxy)-3,5-diethylpyrazol-1-yl]ethanol?
The InChIKey is JZZVRVUZKQKVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O2/c1-3-12-15(13(4-2)19(18-12)7-8-20)21-14-6-5-10(16)9-11(14)17/h5-6,9,20H,3-4,7-8H2,1-2H3.
What are the key properties of 2-[4-(2,4-difluorophenoxy)-3,5-diethylpyrazol-1-yl]ethanol?
2-[4-(2,4-difluorophenoxy)-3,5-diethylpyrazol-1-yl]ethanol has a molecular weight of 296.32 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-difluorophenoxy)-3,5-diethylpyrazol-1-yl]ethanol is sourced from PubChem (CID 45486872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).