[3-[(1-methylpyrazol-3-yl)methoxy]phenyl]methanol

C12H14N2O2 — CID 82866640

IUPAC[3-[(1-methylpyrazol-3-yl)methoxy]phenyl]methanol
SMILESCn1ccc(COc2cccc(CO)c2)n1
InChIInChI=1S/C12H14N2O2/c1-14-6-5-11(13-14)9-16-12-4-2-3-10(7-12)8-15/h2-7,15H,8-9H2,1H3
InChIKeyWLCMFVBYJYSEMU-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.49
Rot. Bonds4

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

[3-[(1-methylpyrazol-3-yl)methoxy]phenyl]methanol (PubChem CID 82866640) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is [3-[(1-methylpyrazol-3-yl)methoxy]phenyl]methanol.

Molecular Properties

Compound Name[3-[(1-methylpyrazol-3-yl)methoxy]phenyl]methanol
PubChem CID82866640
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name[3-[(1-methylpyrazol-3-yl)methoxy]phenyl]methanol
SMILESCn1ccc(COc2cccc(CO)c2)n1
InChIInChI=1S/C12H14N2O2/c1-14-6-5-11(13-14)9-16-12-4-2-3-10(7-12)8-15/h2-7,15H,8-9H2,1H3
InChIKeyWLCMFVBYJYSEMU-UHFFFAOYSA-N
XLogP1.49
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[(1-methylpyrazol-3-yl)methoxy]phenyl]methanamine
CID 82866670
[3-[(2-methyltetrazol-5-yl)methoxy]phenyl]methanol
CID 107043786
[3-(1,3-thiazol-4-ylmethoxy)phenyl]methanol
CID 28782947
3-[(4-bromo-3-methylphenoxy)methyl]-1-methylpyrazole
CID 83133039
[3-[[5-(methylamino)pyrazin-2-yl]methoxy]phenyl]methanol
CID 103058951
2-[4-[(1-methylpyrazol-3-yl)methoxy]phenyl]acetic acid
CID 82866163
1-[4-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethanone
CID 82842996
[3-ethoxy-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]methanol
CID 82865592
6-[[3-(hydroxymethyl)phenoxy]methyl]pyridine-2-carboxylic acid
CID 106903344
[3-(oxiren-2-ylmethoxy)phenyl]methanol
CID 163982140
3-[(3-chlorophenoxy)methyl]-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19329169
[3-[[6-(propylamino)-2-pyridinyl]methoxy]phenyl]methanol
CID 79238949

Frequently Asked Questions

What is the IUPAC name of [3-[(1-methylpyrazol-3-yl)methoxy]phenyl]methanol?
The IUPAC name of [3-[(1-methylpyrazol-3-yl)methoxy]phenyl]methanol (CID 82866640) is [3-[(1-methylpyrazol-3-yl)methoxy]phenyl]methanol.
What is the SMILES notation for [3-[(1-methylpyrazol-3-yl)methoxy]phenyl]methanol?
The canonical SMILES for [3-[(1-methylpyrazol-3-yl)methoxy]phenyl]methanol is Cn1ccc(COc2cccc(CO)c2)n1.
What is the InChIKey of [3-[(1-methylpyrazol-3-yl)methoxy]phenyl]methanol?
The InChIKey is WLCMFVBYJYSEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-14-6-5-11(13-14)9-16-12-4-2-3-10(7-12)8-15/h2-7,15H,8-9H2,1H3.
What are the key properties of [3-[(1-methylpyrazol-3-yl)methoxy]phenyl]methanol?
[3-[(1-methylpyrazol-3-yl)methoxy]phenyl]methanol has a molecular weight of 218.26 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(1-methylpyrazol-3-yl)methoxy]phenyl]methanol is sourced from PubChem (CID 82866640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).