2-(1-benzylpyrazol-3-yl)-4-prop-2-enylphenol

C19H18N2O — CID 155562670

IUPAC2-(1-benzylpyrazol-3-yl)-4-prop-2-enylphenol
SMILESC=CCc1ccc(O)c(-c2ccn(Cc3ccccc3)n2)c1
InChIInChI=1S/C19H18N2O/c1-2-6-15-9-10-19(22)17(13-15)18-11-12-21(20-18)14-16-7-4-3-5-8-16/h2-5,7-13,22H,1,6,14H2
InChIKeyJGONJIOONPSWPJ-UHFFFAOYSA-N
MW290.37 g/mol
LogP4.03
Rot. Bonds5

About 2-(1-benzylpyrazol-3-yl)-4-prop-2-enylphenol

2-(1-benzylpyrazol-3-yl)-4-prop-2-enylphenol (PubChem CID 155562670) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-(1-benzylpyrazol-3-yl)-4-prop-2-enylphenol.

Molecular Properties

Compound Name2-(1-benzylpyrazol-3-yl)-4-prop-2-enylphenol
PubChem CID155562670
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name2-(1-benzylpyrazol-3-yl)-4-prop-2-enylphenol
SMILESC=CCc1ccc(O)c(-c2ccn(Cc3ccccc3)n2)c1
InChIInChI=1S/C19H18N2O/c1-2-6-15-9-10-19(22)17(13-15)18-11-12-21(20-18)14-16-7-4-3-5-8-16/h2-5,7-13,22H,1,6,14H2
InChIKeyJGONJIOONPSWPJ-UHFFFAOYSA-N
XLogP4.03
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(1-benzylpyrazol-3-yl)-4-prop-2-enylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methanol
CID 882911
Phenol, 4-(7-methyl-1-propyl-1H-indazol-3-yl)-
CID 135511848
2-[2-(Dimethylamino)ethyl]-4-(1,3,5-trimethylpyrazol-4-yl)phenol
CID 25192947
4-(5-(2,5-dimethylphenyl)-1-methyl-1H-pyrazol-3-yl)phenol
CID 135546507
4-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl]benzenol
CID 1478286
2-[(4-Benzyltriazol-1-yl)methyl]phenol
CID 11437030
5-[(1-Methyl-3-phenylpyrazol-5-yl)methyl]pyridin-3-ol
CID 145980859
4-[(5S)-1-(4-fluorophenyl)spiro[4H-indazole-5,6'-cyclohexene]-1'-yl]phenol
CID 155548288
2-[1-(4-methoxybenzyl)-3-phenyl-1H-pyrazol-5-yl]phenol
CID 1038912
2-(1-benzyl-3-phenyl-1H-pyrazol-5-yl)phenol
CID 2380220
4-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)phenol
CID 71607972
4-[2-(2-Fluorophenyl)pyrazol-3-yl]-6-iodobenzene-1,3-diol
CID 136367089

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylpyrazol-3-yl)-4-prop-2-enylphenol?
The IUPAC name of 2-(1-benzylpyrazol-3-yl)-4-prop-2-enylphenol (CID 155562670) is 2-(1-benzylpyrazol-3-yl)-4-prop-2-enylphenol.
What is the SMILES notation for 2-(1-benzylpyrazol-3-yl)-4-prop-2-enylphenol?
The canonical SMILES for 2-(1-benzylpyrazol-3-yl)-4-prop-2-enylphenol is C=CCc1ccc(O)c(-c2ccn(Cc3ccccc3)n2)c1.
What is the InChIKey of 2-(1-benzylpyrazol-3-yl)-4-prop-2-enylphenol?
The InChIKey is JGONJIOONPSWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c1-2-6-15-9-10-19(22)17(13-15)18-11-12-21(20-18)14-16-7-4-3-5-8-16/h2-5,7-13,22H,1,6,14H2.
What are the key properties of 2-(1-benzylpyrazol-3-yl)-4-prop-2-enylphenol?
2-(1-benzylpyrazol-3-yl)-4-prop-2-enylphenol has a molecular weight of 290.37 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylpyrazol-3-yl)-4-prop-2-enylphenol is sourced from PubChem (CID 155562670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).