2-[(E)-(2-phenylpyrazol-3-yl)iminomethyl]phenol

C16H13N3O — CID 135473183

IUPAC2-[(E)-(2-phenylpyrazol-3-yl)iminomethyl]phenol
SMILESOc1ccccc1/C=N/c1ccnn1-c1ccccc1
InChIInChI=1S/C16H13N3O/c20-15-9-5-4-6-13(15)12-17-16-10-11-18-19(16)14-7-2-1-3-8-14/h1-12,20H/b17-12+
InChIKeyFVJFUIKPDGUAGA-SFQUDFHCSA-N
MW263.30 g/mol
LogP3.33
Rot. Bonds3

About 2-[(E)-(2-phenylpyrazol-3-yl)iminomethyl]phenol

2-[(E)-(2-phenylpyrazol-3-yl)iminomethyl]phenol (PubChem CID 135473183) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-[(E)-(2-phenylpyrazol-3-yl)iminomethyl]phenol.

Molecular Properties

Compound Name2-[(E)-(2-phenylpyrazol-3-yl)iminomethyl]phenol
PubChem CID135473183
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name2-[(E)-(2-phenylpyrazol-3-yl)iminomethyl]phenol
SMILESOc1ccccc1/C=N/c1ccnn1-c1ccccc1
InChIInChI=1S/C16H13N3O/c20-15-9-5-4-6-13(15)12-17-16-10-11-18-19(16)14-7-2-1-3-8-14/h1-12,20H/b17-12+
InChIKeyFVJFUIKPDGUAGA-SFQUDFHCSA-N
XLogP3.33
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6-(2-hydroxyphenyl)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 162677164
4-Methyl-6-(2-phenyl-1,2-dihydro-3H-pyrazol-3-ylidene)cyclohexa-2,4-dien-1-one
CID 353508
4-[(5-Methyl-2,4-diphenyl-2H-pyrazol-3-ylimino)-methyl]-phenol
CID 135464676
2-[(5-Methyl-2,4-diphenyl-2H-pyrazol-3-ylimino)-methyl]-phenol
CID 135464675
Pyrazolo(3,4-d)(1,3)oxazin-4(1H)-one, 6-(2-hydroxyphenyl)-1-phenyl-
CID 3087663
N-[2-(4-hydroxyphenyl)pyrazol-3-yl]-4-methylbenzenesulfonamide
CID 154700012
2-[[4-(3,5-Ditert-butylpyrazol-1-yl)phenyl]iminomethyl]phenol
CID 2742051
2-(1-Phenylpyrazol-3-yl)-4-propylphenol
CID 155529835
2-(1-Phenylpyrazol-3-yl)-4-prop-2-enylphenol
CID 155550603
2-[Bis(3-phenylpyrazol-1-yl)methyl]phenol
CID 46918447
2-[2-(2-Fluorophenyl)pyrazol-3-yl]phenol
CID 135465517
2-[1-[3-(Trifluoromethyl)-2-pyridyl]pyrazol-3-yl]phenol
CID 135465519

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(2-phenylpyrazol-3-yl)iminomethyl]phenol?
The IUPAC name of 2-[(E)-(2-phenylpyrazol-3-yl)iminomethyl]phenol (CID 135473183) is 2-[(E)-(2-phenylpyrazol-3-yl)iminomethyl]phenol.
What is the SMILES notation for 2-[(E)-(2-phenylpyrazol-3-yl)iminomethyl]phenol?
The canonical SMILES for 2-[(E)-(2-phenylpyrazol-3-yl)iminomethyl]phenol is Oc1ccccc1/C=N/c1ccnn1-c1ccccc1.
What is the InChIKey of 2-[(E)-(2-phenylpyrazol-3-yl)iminomethyl]phenol?
The InChIKey is FVJFUIKPDGUAGA-SFQUDFHCSA-N. The full InChI is InChI=1S/C16H13N3O/c20-15-9-5-4-6-13(15)12-17-16-10-11-18-19(16)14-7-2-1-3-8-14/h1-12,20H/b17-12+.
What are the key properties of 2-[(E)-(2-phenylpyrazol-3-yl)iminomethyl]phenol?
2-[(E)-(2-phenylpyrazol-3-yl)iminomethyl]phenol has a molecular weight of 263.30 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(2-phenylpyrazol-3-yl)iminomethyl]phenol is sourced from PubChem (CID 135473183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).