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

C18H26N2O — CID 82698546

IUPAC1-[3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazol-4-yl]ethanol
SMILESCCc1ccc(Cn2nc(CC)c(C(C)O)c2CC)cc1
InChIInChI=1S/C18H26N2O/c1-5-14-8-10-15(11-9-14)12-20-17(7-3)18(13(4)21)16(6-2)19-20/h8-11,13,21H,5-7,12H2,1-4H3
InChIKeySVSNWTLRJIZEJU-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.67
Rot. Bonds6

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

1-[3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazol-4-yl]ethanol (PubChem CID 82698546) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-[3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazol-4-yl]ethanol
PubChem CID82698546
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name1-[3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazol-4-yl]ethanol
SMILESCCc1ccc(Cn2nc(CC)c(C(C)O)c2CC)cc1
InChIInChI=1S/C18H26N2O/c1-5-14-8-10-15(11-9-14)12-20-17(7-3)18(13(4)21)16(6-2)19-20/h8-11,13,21H,5-7,12H2,1-4H3
InChIKeySVSNWTLRJIZEJU-UHFFFAOYSA-N
XLogP3.67
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.67
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-[(4-ethylphenyl)methyl]pyrazol-4-yl]ethanol?
The IUPAC name of 1-[3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazol-4-yl]ethanol (CID 82698546) is 1-[3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazol-4-yl]ethanol.
What is the SMILES notation for 1-[3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazol-4-yl]ethanol?
The canonical SMILES for 1-[3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazol-4-yl]ethanol is CCc1ccc(Cn2nc(CC)c(C(C)O)c2CC)cc1.
What is the InChIKey of 1-[3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazol-4-yl]ethanol?
The InChIKey is SVSNWTLRJIZEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-5-14-8-10-15(11-9-14)12-20-17(7-3)18(13(4)21)16(6-2)19-20/h8-11,13,21H,5-7,12H2,1-4H3.
What are the key properties of 1-[3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazol-4-yl]ethanol?
1-[3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazol-4-yl]ethanol has a molecular weight of 286.42 g/mol, XLogP of 3.67, 6 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-[(4-ethylphenyl)methyl]pyrazol-4-yl]ethanol is sourced from PubChem (CID 82698546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).