1-[(2-hydroxyphenyl)methyl]pyrazol-4-ol

C10H10N2O2 — CID 117124791

IUPAC1-[(2-hydroxyphenyl)methyl]pyrazol-4-ol
SMILESOc1cnn(Cc2ccccc2O)c1
InChIInChI=1S/C10H10N2O2/c13-9-5-11-12(7-9)6-8-3-1-2-4-10(8)14/h1-5,7,13-14H,6H2
InChIKeyIUGHZBGBPWOYGH-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.34
Rot. Bonds2

About 1-[(2-hydroxyphenyl)methyl]pyrazol-4-ol

1-[(2-hydroxyphenyl)methyl]pyrazol-4-ol (PubChem CID 117124791) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 1-[(2-hydroxyphenyl)methyl]pyrazol-4-ol.

Molecular Properties

Compound Name1-[(2-hydroxyphenyl)methyl]pyrazol-4-ol
PubChem CID117124791
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name1-[(2-hydroxyphenyl)methyl]pyrazol-4-ol
SMILESOc1cnn(Cc2ccccc2O)c1
InChIInChI=1S/C10H10N2O2/c13-9-5-11-12(7-9)6-8-3-1-2-4-10(8)14/h1-5,7,13-14H,6H2
InChIKeyIUGHZBGBPWOYGH-UHFFFAOYSA-N
XLogP1.34
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-(aminomethyl)pyrazol-4-ol
CID 117125261
2-[(1-benzylpyrazol-4-yl)oxymethyl]phenol
CID 117234046
1-[(2-chloro-5-fluorophenyl)methyl]pyrazol-4-ol
CID 102622243
1-(2-phenylsulfanylethyl)pyrazol-4-ol
CID 116799458
1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-ol
CID 116799436
methyl 2-[4-[(4-hydroxypyrazol-1-yl)methyl]phenyl]acetate
CID 170835877
1-[(5-chloro-2-nitrophenyl)methyl]pyrazol-4-ol
CID 116799335
3-amino-N-[1-[(2-hydroxyphenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide
CID 155220772
4-[(4-methylpyrazol-1-yl)methyl]-1H-benzimidazole
CID 170755995
4-(chloromethyl)-1-[(2-chlorophenyl)methyl]pyrazole
CID 62730927
1-(quinolin-8-ylmethyl)pyrazol-4-amine
CID 28774951
1-[(2-fluorophenyl)methyl]pyrazole-4-sulfonamide
CID 79001284

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxyphenyl)methyl]pyrazol-4-ol?
The IUPAC name of 1-[(2-hydroxyphenyl)methyl]pyrazol-4-ol (CID 117124791) is 1-[(2-hydroxyphenyl)methyl]pyrazol-4-ol.
What is the SMILES notation for 1-[(2-hydroxyphenyl)methyl]pyrazol-4-ol?
The canonical SMILES for 1-[(2-hydroxyphenyl)methyl]pyrazol-4-ol is Oc1cnn(Cc2ccccc2O)c1.
What is the InChIKey of 1-[(2-hydroxyphenyl)methyl]pyrazol-4-ol?
The InChIKey is IUGHZBGBPWOYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c13-9-5-11-12(7-9)6-8-3-1-2-4-10(8)14/h1-5,7,13-14H,6H2.
What are the key properties of 1-[(2-hydroxyphenyl)methyl]pyrazol-4-ol?
1-[(2-hydroxyphenyl)methyl]pyrazol-4-ol has a molecular weight of 190.20 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxyphenyl)methyl]pyrazol-4-ol is sourced from PubChem (CID 117124791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).