4-(3-phenyl-4,5-dihydro-1H-pyrazol-5-yl)phenol

C15H14N2O — CID 10376914

IUPAC4-(3-phenyl-4,5-dihydro-1H-pyrazol-5-yl)phenol
SMILESOc1ccc(C2CC(c3ccccc3)=NN2)cc1
InChIInChI=1S/C15H14N2O/c18-13-8-6-12(7-9-13)15-10-14(16-17-15)11-4-2-1-3-5-11/h1-9,15,17-18H,10H2
InChIKeyGXVJVHSJVJLBTN-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.83
Rot. Bonds2

About 4-(3-phenyl-4,5-dihydro-1H-pyrazol-5-yl)phenol

4-(3-phenyl-4,5-dihydro-1H-pyrazol-5-yl)phenol (PubChem CID 10376914) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-(3-phenyl-4,5-dihydro-1H-pyrazol-5-yl)phenol.

Molecular Properties

Compound Name4-(3-phenyl-4,5-dihydro-1H-pyrazol-5-yl)phenol
PubChem CID10376914
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name4-(3-phenyl-4,5-dihydro-1H-pyrazol-5-yl)phenol
SMILESOc1ccc(C2CC(c3ccccc3)=NN2)cc1
InChIInChI=1S/C15H14N2O/c18-13-8-6-12(7-9-13)15-10-14(16-17-15)11-4-2-1-3-5-11/h1-9,15,17-18H,10H2
InChIKeyGXVJVHSJVJLBTN-UHFFFAOYSA-N
XLogP2.83
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-phenyl-4,5-dihydro-1H-pyrazol-5-yl)phenol?
The IUPAC name of 4-(3-phenyl-4,5-dihydro-1H-pyrazol-5-yl)phenol (CID 10376914) is 4-(3-phenyl-4,5-dihydro-1H-pyrazol-5-yl)phenol.
What is the SMILES notation for 4-(3-phenyl-4,5-dihydro-1H-pyrazol-5-yl)phenol?
The canonical SMILES for 4-(3-phenyl-4,5-dihydro-1H-pyrazol-5-yl)phenol is Oc1ccc(C2CC(c3ccccc3)=NN2)cc1.
What is the InChIKey of 4-(3-phenyl-4,5-dihydro-1H-pyrazol-5-yl)phenol?
The InChIKey is GXVJVHSJVJLBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c18-13-8-6-12(7-9-13)15-10-14(16-17-15)11-4-2-1-3-5-11/h1-9,15,17-18H,10H2.
What are the key properties of 4-(3-phenyl-4,5-dihydro-1H-pyrazol-5-yl)phenol?
4-(3-phenyl-4,5-dihydro-1H-pyrazol-5-yl)phenol has a molecular weight of 238.29 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenyl-4,5-dihydro-1H-pyrazol-5-yl)phenol is sourced from PubChem (CID 10376914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).