2-(5-methoxy-3-methyl-1-phenylpyrazol-4-yl)ethanol

C13H16N2O2 — CID 117123475

IUPAC2-(5-methoxy-3-methyl-1-phenylpyrazol-4-yl)ethanol
SMILESCOc1c(CCO)c(C)nn1-c1ccccc1
InChIInChI=1S/C13H16N2O2/c1-10-12(8-9-16)13(17-2)15(14-10)11-6-4-3-5-7-11/h3-7,16H,8-9H2,1-2H3
InChIKeyXLYCVEOEOIKPNH-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.72
Rot. Bonds4

About 2-(5-methoxy-3-methyl-1-phenylpyrazol-4-yl)ethanol

2-(5-methoxy-3-methyl-1-phenylpyrazol-4-yl)ethanol (PubChem CID 117123475) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-(5-methoxy-3-methyl-1-phenylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(5-methoxy-3-methyl-1-phenylpyrazol-4-yl)ethanol
PubChem CID117123475
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2-(5-methoxy-3-methyl-1-phenylpyrazol-4-yl)ethanol
SMILESCOc1c(CCO)c(C)nn1-c1ccccc1
InChIInChI=1S/C13H16N2O2/c1-10-12(8-9-16)13(17-2)15(14-10)11-6-4-3-5-7-11/h3-7,16H,8-9H2,1-2H3
InChIKeyXLYCVEOEOIKPNH-UHFFFAOYSA-N
XLogP1.72
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-methoxy-1-(3-methoxyphenyl)-3-methylpyrazol-4-yl]ethanamine
CID 117123912
2-[3-tert-butyl-5-methoxy-1-(4-methylphenyl)pyrazol-4-yl]ethanol
CID 117124112
3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)propan-1-ol
CID 170887531
2-[5-methoxy-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]acetic acid
CID 117124290
2-[1-(4-bromophenyl)-5-methoxy-3-methylpyrazol-4-yl]ethanamine
CID 117124197
2-[5-bromo-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]ethanol
CID 116817986
2-[5-methoxy-1-(3-methoxyphenyl)-3-methylpyrazol-4-yl]acetic acid
CID 117124014
(3,5-dimethyl-1-phenylpyrazol-4-yl)methanol
CID 2526674
(5-methoxy-1-phenyl-3-propan-2-ylpyrazol-4-yl)methanol
CID 117123429
(NZ)-N-[1-(5-methoxy-3-methyl-1-phenylpyrazol-4-yl)ethylidene]hydroxylamine
CID 11075713
[1-(3-fluorophenyl)-5-methoxy-3-methylpyrazol-4-yl]methanamine
CID 117123859
[3-methyl-5-(3-methylphenoxy)-1-phenylpyrazol-4-yl]methanol
CID 39096917

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-3-methyl-1-phenylpyrazol-4-yl)ethanol?
The IUPAC name of 2-(5-methoxy-3-methyl-1-phenylpyrazol-4-yl)ethanol (CID 117123475) is 2-(5-methoxy-3-methyl-1-phenylpyrazol-4-yl)ethanol.
What is the SMILES notation for 2-(5-methoxy-3-methyl-1-phenylpyrazol-4-yl)ethanol?
The canonical SMILES for 2-(5-methoxy-3-methyl-1-phenylpyrazol-4-yl)ethanol is COc1c(CCO)c(C)nn1-c1ccccc1.
What is the InChIKey of 2-(5-methoxy-3-methyl-1-phenylpyrazol-4-yl)ethanol?
The InChIKey is XLYCVEOEOIKPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-10-12(8-9-16)13(17-2)15(14-10)11-6-4-3-5-7-11/h3-7,16H,8-9H2,1-2H3.
What are the key properties of 2-(5-methoxy-3-methyl-1-phenylpyrazol-4-yl)ethanol?
2-(5-methoxy-3-methyl-1-phenylpyrazol-4-yl)ethanol has a molecular weight of 232.28 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-3-methyl-1-phenylpyrazol-4-yl)ethanol is sourced from PubChem (CID 117123475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).