3-(1H-pyrazol-4-yloxymethyl)phenol

C10H10N2O2 — CID 117233494

IUPAC3-(1H-pyrazol-4-yloxymethyl)phenol
SMILESOc1cccc(COc2cn[nH]c2)c1
InChIInChI=1S/C10H10N2O2/c13-9-3-1-2-8(4-9)7-14-10-5-11-12-6-10/h1-6,13H,7H2,(H,11,12)
InChIKeyRDOIEFNXXVYNOZ-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.69
Rot. Bonds3

About 3-(1H-pyrazol-4-yloxymethyl)phenol

3-(1H-pyrazol-4-yloxymethyl)phenol (PubChem CID 117233494) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 3-(1H-pyrazol-4-yloxymethyl)phenol.

Molecular Properties

Compound Name3-(1H-pyrazol-4-yloxymethyl)phenol
PubChem CID117233494
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name3-(1H-pyrazol-4-yloxymethyl)phenol
SMILESOc1cccc(COc2cn[nH]c2)c1
InChIInChI=1S/C10H10N2O2/c13-9-3-1-2-8(4-9)7-14-10-5-11-12-6-10/h1-6,13H,7H2,(H,11,12)
InChIKeyRDOIEFNXXVYNOZ-UHFFFAOYSA-N
XLogP1.69
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-ethylphenoxy)methyl]phenol
CID 70330427
4-(2-phenylethoxy)-1H-pyrazole
CID 138985948
2-(3-hydroxyphenyl)-N-(1H-pyrazol-4-yl)acetamide
CID 61399438
benzyl 2-(1H-pyrazol-4-yloxy)acetate
CID 154815213
3-[(3-methylphenyl)methoxy]phenol
CID 39243397
3-[[4-(2-methylbutan-2-yl)phenoxy]methyl]phenol
CID 70563194
2-hydroxy-5-[(3-hydroxyphenyl)methoxy]benzoic acid
CID 71036830
CID 57453999
CID 57453999
3-[2-(2H-triazol-4-yl)ethyl]phenol
CID 112718347
(2R)-2-[(3-hydroxyphenyl)methoxy]propanoic acid
CID 104875246
2-acetyl-5-[(3-hydroxyphenyl)methoxy]benzoic acid
CID 91863786
3-[[[(1R)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]amino]methyl]phenol
CID 95276770

Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrazol-4-yloxymethyl)phenol?
The IUPAC name of 3-(1H-pyrazol-4-yloxymethyl)phenol (CID 117233494) is 3-(1H-pyrazol-4-yloxymethyl)phenol.
What is the SMILES notation for 3-(1H-pyrazol-4-yloxymethyl)phenol?
The canonical SMILES for 3-(1H-pyrazol-4-yloxymethyl)phenol is Oc1cccc(COc2cn[nH]c2)c1.
What is the InChIKey of 3-(1H-pyrazol-4-yloxymethyl)phenol?
The InChIKey is RDOIEFNXXVYNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c13-9-3-1-2-8(4-9)7-14-10-5-11-12-6-10/h1-6,13H,7H2,(H,11,12).
What are the key properties of 3-(1H-pyrazol-4-yloxymethyl)phenol?
3-(1H-pyrazol-4-yloxymethyl)phenol has a molecular weight of 190.20 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrazol-4-yloxymethyl)phenol is sourced from PubChem (CID 117233494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).