[3-[(1-ethylpyrazol-4-yl)methoxy]phenyl]methanol

C13H16N2O2 — CID 62127102

IUPAC[3-[(1-ethylpyrazol-4-yl)methoxy]phenyl]methanol
SMILESCCn1cc(COc2cccc(CO)c2)cn1
InChIInChI=1S/C13H16N2O2/c1-2-15-8-12(7-14-15)10-17-13-5-3-4-11(6-13)9-16/h3-8,16H,2,9-10H2,1H3
InChIKeyLYFLYPNNSCVWLV-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.97
Rot. Bonds5

About [3-[(1-ethylpyrazol-4-yl)methoxy]phenyl]methanol

[3-[(1-ethylpyrazol-4-yl)methoxy]phenyl]methanol (PubChem CID 62127102) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is [3-[(1-ethylpyrazol-4-yl)methoxy]phenyl]methanol.

Molecular Properties

Compound Name[3-[(1-ethylpyrazol-4-yl)methoxy]phenyl]methanol
PubChem CID62127102
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name[3-[(1-ethylpyrazol-4-yl)methoxy]phenyl]methanol
SMILESCCn1cc(COc2cccc(CO)c2)cn1
InChIInChI=1S/C13H16N2O2/c1-2-15-8-12(7-14-15)10-17-13-5-3-4-11(6-13)9-16/h3-8,16H,2,9-10H2,1H3
InChIKeyLYFLYPNNSCVWLV-UHFFFAOYSA-N
XLogP1.97
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-4-[(3-ethylphenoxy)methyl]pyrazole
CID 64764003
4-[[3-(chloromethyl)phenoxy]methyl]-1-ethylpyrazole
CID 62127453
[5-[(1-ethylpyrazol-4-yl)methoxy]-2-pyridinyl]methanol
CID 79799636
1-[3-[(1-ethylpyrazol-4-yl)methoxy]phenyl]-N-methylethanamine
CID 62125799
1-ethyl-4-[(1-ethylpyrazol-4-yl)methoxy]pyrazole
CID 116804612
[4-[(1-ethylpyrazol-4-yl)methoxy]-3,5-dimethylphenyl]methanol
CID 62127449
[4-[(1-ethylpyrazol-4-yl)methoxy]-3,5-dimethoxyphenyl]methanol
CID 62125678
4-[(4-chlorophenoxy)methyl]-1-ethylpyrazole
CID 64764542
3-[(1-ethylpyrazol-4-yl)methoxy]-5-methylphenol
CID 107679822
3-[(1-ethylpyrazol-4-yl)methoxy]naphthalen-2-ol
CID 62125688
[2-[(1-ethylpyrazol-4-yl)methoxy]-3-methoxyphenyl]methanol
CID 62127791
2-[(1-ethylpyrazol-4-yl)methyl]-3-(3-methoxyphenyl)propan-1-ol
CID 66060151

Frequently Asked Questions

What is the IUPAC name of [3-[(1-ethylpyrazol-4-yl)methoxy]phenyl]methanol?
The IUPAC name of [3-[(1-ethylpyrazol-4-yl)methoxy]phenyl]methanol (CID 62127102) is [3-[(1-ethylpyrazol-4-yl)methoxy]phenyl]methanol.
What is the SMILES notation for [3-[(1-ethylpyrazol-4-yl)methoxy]phenyl]methanol?
The canonical SMILES for [3-[(1-ethylpyrazol-4-yl)methoxy]phenyl]methanol is CCn1cc(COc2cccc(CO)c2)cn1.
What is the InChIKey of [3-[(1-ethylpyrazol-4-yl)methoxy]phenyl]methanol?
The InChIKey is LYFLYPNNSCVWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-2-15-8-12(7-14-15)10-17-13-5-3-4-11(6-13)9-16/h3-8,16H,2,9-10H2,1H3.
What are the key properties of [3-[(1-ethylpyrazol-4-yl)methoxy]phenyl]methanol?
[3-[(1-ethylpyrazol-4-yl)methoxy]phenyl]methanol has a molecular weight of 232.28 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(1-ethylpyrazol-4-yl)methoxy]phenyl]methanol is sourced from PubChem (CID 62127102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).