2-(4,5-dihydro-3H-pyrazol-3-yl)phenol

C9H10N2O — CID 54440854

IUPAC2-(4,5-dihydro-3H-pyrazol-3-yl)phenol
SMILESOc1ccccc1C1CCN=N1
InChIInChI=1S/C9H10N2O/c12-9-4-2-1-3-7(9)8-5-6-10-11-8/h1-4,8,12H,5-6H2
InChIKeyWNZGMNSNNKFGNJ-UHFFFAOYSA-N
MW162.19 g/mol
LogP2.29
Rot. Bonds1

About 2-(4,5-dihydro-3H-pyrazol-3-yl)phenol

2-(4,5-dihydro-3H-pyrazol-3-yl)phenol (PubChem CID 54440854) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 2-(4,5-dihydro-3H-pyrazol-3-yl)phenol.

Molecular Properties

Compound Name2-(4,5-dihydro-3H-pyrazol-3-yl)phenol
PubChem CID54440854
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name2-(4,5-dihydro-3H-pyrazol-3-yl)phenol
SMILESOc1ccccc1C1CCN=N1
InChIInChI=1S/C9H10N2O/c12-9-4-2-1-3-7(9)8-5-6-10-11-8/h1-4,8,12H,5-6H2
InChIKeyWNZGMNSNNKFGNJ-UHFFFAOYSA-N
XLogP2.29
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methylphenyl)-4,5-dihydro-3H-pyrazole
CID 54133918
3-[4-(4,5-dihydro-3H-pyrazol-3-yl)phenyl]-4,5-dihydro-3H-pyrazole
CID 91229682
2-cyclododecylphenol
CID 22381643
2,5-bis(2-hydroxyphenyl)cyclopentan-1-one
CID 18760303
2-(azetidin-2-yl)phenol
CID 55282316
2-(2,2-difluorocyclobutyl)phenol
CID 115016628
2-(2-hydroxyphenyl)cyclobutan-1-one
CID 14245733
2-[(1R)-2,3-dihydro-1H-inden-1-yl]phenol
CID 86317176
2-[(1S,2R)-2-methylcyclopropyl]phenol
CID 176896077
2-[5-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyrazol-3-yl]phenol
CID 91896144
2-(dioxiran-3-yl)phenol
CID 87283547
2-[4-[bis[4-(2-hydroxyphenyl)azetidin-2-yl]amino]azetidin-2-yl]phenol
CID 23109848

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-3H-pyrazol-3-yl)phenol?
The IUPAC name of 2-(4,5-dihydro-3H-pyrazol-3-yl)phenol (CID 54440854) is 2-(4,5-dihydro-3H-pyrazol-3-yl)phenol.
What is the SMILES notation for 2-(4,5-dihydro-3H-pyrazol-3-yl)phenol?
The canonical SMILES for 2-(4,5-dihydro-3H-pyrazol-3-yl)phenol is Oc1ccccc1C1CCN=N1.
What is the InChIKey of 2-(4,5-dihydro-3H-pyrazol-3-yl)phenol?
The InChIKey is WNZGMNSNNKFGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c12-9-4-2-1-3-7(9)8-5-6-10-11-8/h1-4,8,12H,5-6H2.
What are the key properties of 2-(4,5-dihydro-3H-pyrazol-3-yl)phenol?
2-(4,5-dihydro-3H-pyrazol-3-yl)phenol has a molecular weight of 162.19 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-3H-pyrazol-3-yl)phenol is sourced from PubChem (CID 54440854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).