2-[(1-ethylpyrazol-4-yl)methyl]-3-(3-methoxyphenyl)propan-1-ol

C16H22N2O2 — CID 66060151

IUPAC2-[(1-ethylpyrazol-4-yl)methyl]-3-(3-methoxyphenyl)propan-1-ol
SMILESCCn1cc(CC(CO)Cc2cccc(OC)c2)cn1
InChIInChI=1S/C16H22N2O2/c1-3-18-11-15(10-17-18)8-14(12-19)7-13-5-4-6-16(9-13)20-2/h4-6,9-11,14,19H,3,7-8,12H2,1-2H3
InChIKeyGWHTUSKBSPVYCB-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.31
Rot. Bonds7

About 2-[(1-ethylpyrazol-4-yl)methyl]-3-(3-methoxyphenyl)propan-1-ol

2-[(1-ethylpyrazol-4-yl)methyl]-3-(3-methoxyphenyl)propan-1-ol (PubChem CID 66060151) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-[(1-ethylpyrazol-4-yl)methyl]-3-(3-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name2-[(1-ethylpyrazol-4-yl)methyl]-3-(3-methoxyphenyl)propan-1-ol
PubChem CID66060151
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-[(1-ethylpyrazol-4-yl)methyl]-3-(3-methoxyphenyl)propan-1-ol
SMILESCCn1cc(CC(CO)Cc2cccc(OC)c2)cn1
InChIInChI=1S/C16H22N2O2/c1-3-18-11-15(10-17-18)8-14(12-19)7-13-5-4-6-16(9-13)20-2/h4-6,9-11,14,19H,3,7-8,12H2,1-2H3
InChIKeyGWHTUSKBSPVYCB-UHFFFAOYSA-N
XLogP2.31
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[(1-ethylpyrazol-4-yl)methoxy]phenyl]methanol
CID 62127102
1-(1-ethylpyrazol-4-yl)-3-(4-methoxyphenyl)propan-2-ol
CID 62126980
2-[(3-methoxyphenyl)methyl]-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 62515952
2-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(3-methoxyphenyl)propan-1-ol
CID 66059296
2-[(1-ethylpyrazol-4-yl)methylamino]-1-(3-methoxyphenyl)ethanol
CID 111117940
2-[(3-methoxyphenyl)methyl]-3-thiophen-3-ylpropan-1-ol
CID 66060150
2-[(3-methoxyphenyl)methyl]octan-1-ol
CID 66058454
1-(3-ethoxyphenyl)-2-(1-ethylpyrazol-4-yl)ethanol
CID 62127843
2-(furan-2-ylmethyl)-3-(3-methoxyphenyl)propan-1-ol
CID 66058670
2-[(3-methoxyphenyl)methyl]-3-(1,3-thiazol-4-yl)propan-1-ol
CID 66059930
1-[(1-ethylpyrazol-4-yl)methyl]-3-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]thiourea
CID 19343854
1-ethyl-4-[(3-ethylphenoxy)methyl]pyrazole
CID 64764003

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrazol-4-yl)methyl]-3-(3-methoxyphenyl)propan-1-ol?
The IUPAC name of 2-[(1-ethylpyrazol-4-yl)methyl]-3-(3-methoxyphenyl)propan-1-ol (CID 66060151) is 2-[(1-ethylpyrazol-4-yl)methyl]-3-(3-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 2-[(1-ethylpyrazol-4-yl)methyl]-3-(3-methoxyphenyl)propan-1-ol?
The canonical SMILES for 2-[(1-ethylpyrazol-4-yl)methyl]-3-(3-methoxyphenyl)propan-1-ol is CCn1cc(CC(CO)Cc2cccc(OC)c2)cn1.
What is the InChIKey of 2-[(1-ethylpyrazol-4-yl)methyl]-3-(3-methoxyphenyl)propan-1-ol?
The InChIKey is GWHTUSKBSPVYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-3-18-11-15(10-17-18)8-14(12-19)7-13-5-4-6-16(9-13)20-2/h4-6,9-11,14,19H,3,7-8,12H2,1-2H3.
What are the key properties of 2-[(1-ethylpyrazol-4-yl)methyl]-3-(3-methoxyphenyl)propan-1-ol?
2-[(1-ethylpyrazol-4-yl)methyl]-3-(3-methoxyphenyl)propan-1-ol has a molecular weight of 274.36 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrazol-4-yl)methyl]-3-(3-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 66060151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).