4-[(E)-2-(5-methyl-1H-pyrazol-3-yl)ethenyl]phenol

C12H12N2O — CID 135991588

IUPAC4-[(E)-2-(5-methyl-1H-pyrazol-3-yl)ethenyl]phenol
SMILESCc1cc(/C=C/c2ccc(O)cc2)n[nH]1
InChIInChI=1S/C12H12N2O/c1-9-8-11(14-13-9)5-2-10-3-6-12(15)7-4-10/h2-8,15H,1H3,(H,13,14)/b5-2+
InChIKeyTXQITXMITVHZNW-GORDUTHDSA-N
MW200.24 g/mol
LogP2.59
Rot. Bonds2

About 4-[(E)-2-(5-methyl-1H-pyrazol-3-yl)ethenyl]phenol

4-[(E)-2-(5-methyl-1H-pyrazol-3-yl)ethenyl]phenol (PubChem CID 135991588) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 4-[(E)-2-(5-methyl-1H-pyrazol-3-yl)ethenyl]phenol.

Molecular Properties

Compound Name4-[(E)-2-(5-methyl-1H-pyrazol-3-yl)ethenyl]phenol
PubChem CID135991588
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name4-[(E)-2-(5-methyl-1H-pyrazol-3-yl)ethenyl]phenol
SMILESCc1cc(/C=C/c2ccc(O)cc2)n[nH]1
InChIInChI=1S/C12H12N2O/c1-9-8-11(14-13-9)5-2-10-3-6-12(15)7-4-10/h2-8,15H,1H3,(H,13,14)/b5-2+
InChIKeyTXQITXMITVHZNW-GORDUTHDSA-N
XLogP2.59
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

o-(1H-pyrazol-3-yl)phenol
CID 819511
Vrt-532
CID 781239
2-[5-(2-Fluorophenyl)-1H-pyrazol-3-yl]phenol
CID 136226476
2-[5-(1,1,2,2-tetrafluoroethyl)-1H-pyrazol-3-yl]phenol
CID 762936
2-(5-(4-fluorophenyl)-1H-pyrazol-3-yl)phenol
CID 759784
2-(5-phenyl-1H-pyrazol-3-yl)phenol
CID 781202
4-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
CID 690720
2-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]phenol
CID 644655
2-[5-(2-methylphenyl)-1H-pyrazol-3-yl]phenol
CID 775981
4-methyl-2-[5-(2-methylphenyl)-1H-pyrazol-3-yl]phenol
CID 775994
2-[5-(3-Fluoro-phenyl)-1H-pyrazol-3-yl]-4-methyl-phenol
CID 776006
2-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]-4-methylphenol
CID 936854

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(5-methyl-1H-pyrazol-3-yl)ethenyl]phenol?
The IUPAC name of 4-[(E)-2-(5-methyl-1H-pyrazol-3-yl)ethenyl]phenol (CID 135991588) is 4-[(E)-2-(5-methyl-1H-pyrazol-3-yl)ethenyl]phenol.
What is the SMILES notation for 4-[(E)-2-(5-methyl-1H-pyrazol-3-yl)ethenyl]phenol?
The canonical SMILES for 4-[(E)-2-(5-methyl-1H-pyrazol-3-yl)ethenyl]phenol is Cc1cc(/C=C/c2ccc(O)cc2)n[nH]1.
What is the InChIKey of 4-[(E)-2-(5-methyl-1H-pyrazol-3-yl)ethenyl]phenol?
The InChIKey is TXQITXMITVHZNW-GORDUTHDSA-N. The full InChI is InChI=1S/C12H12N2O/c1-9-8-11(14-13-9)5-2-10-3-6-12(15)7-4-10/h2-8,15H,1H3,(H,13,14)/b5-2+.
What are the key properties of 4-[(E)-2-(5-methyl-1H-pyrazol-3-yl)ethenyl]phenol?
4-[(E)-2-(5-methyl-1H-pyrazol-3-yl)ethenyl]phenol has a molecular weight of 200.24 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(5-methyl-1H-pyrazol-3-yl)ethenyl]phenol is sourced from PubChem (CID 135991588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).