2-[5-methoxy-1-(4-methoxyphenyl)pyrazol-4-yl]ethanol

C13H16N2O3 — CID 115069112

IUPAC2-[5-methoxy-1-(4-methoxyphenyl)pyrazol-4-yl]ethanol
SMILESCOc1ccc(-n2ncc(CCO)c2OC)cc1
InChIInChI=1S/C13H16N2O3/c1-17-12-5-3-11(4-6-12)15-13(18-2)10(7-8-16)9-14-15/h3-6,9,16H,7-8H2,1-2H3
InChIKeyYXVSSEJNFAYYSX-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.42
Rot. Bonds5

About 2-[5-methoxy-1-(4-methoxyphenyl)pyrazol-4-yl]ethanol

2-[5-methoxy-1-(4-methoxyphenyl)pyrazol-4-yl]ethanol (PubChem CID 115069112) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-[5-methoxy-1-(4-methoxyphenyl)pyrazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[5-methoxy-1-(4-methoxyphenyl)pyrazol-4-yl]ethanol
PubChem CID115069112
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name2-[5-methoxy-1-(4-methoxyphenyl)pyrazol-4-yl]ethanol
SMILESCOc1ccc(-n2ncc(CCO)c2OC)cc1
InChIInChI=1S/C13H16N2O3/c1-17-12-5-3-11(4-6-12)15-13(18-2)10(7-8-16)9-14-15/h3-6,9,16H,7-8H2,1-2H3
InChIKeyYXVSSEJNFAYYSX-UHFFFAOYSA-N
XLogP1.42
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methoxy-1-(4-methoxyphenyl)pyrazol-4-yl]ethanol?
The IUPAC name of 2-[5-methoxy-1-(4-methoxyphenyl)pyrazol-4-yl]ethanol (CID 115069112) is 2-[5-methoxy-1-(4-methoxyphenyl)pyrazol-4-yl]ethanol.
What is the SMILES notation for 2-[5-methoxy-1-(4-methoxyphenyl)pyrazol-4-yl]ethanol?
The canonical SMILES for 2-[5-methoxy-1-(4-methoxyphenyl)pyrazol-4-yl]ethanol is COc1ccc(-n2ncc(CCO)c2OC)cc1.
What is the InChIKey of 2-[5-methoxy-1-(4-methoxyphenyl)pyrazol-4-yl]ethanol?
The InChIKey is YXVSSEJNFAYYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-17-12-5-3-11(4-6-12)15-13(18-2)10(7-8-16)9-14-15/h3-6,9,16H,7-8H2,1-2H3.
What are the key properties of 2-[5-methoxy-1-(4-methoxyphenyl)pyrazol-4-yl]ethanol?
2-[5-methoxy-1-(4-methoxyphenyl)pyrazol-4-yl]ethanol has a molecular weight of 248.28 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methoxy-1-(4-methoxyphenyl)pyrazol-4-yl]ethanol is sourced from PubChem (CID 115069112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).