3-(2-methoxy-5-prop-2-enylphenyl)-1-phenylpyrazole

C19H18N2O — CID 155513399

IUPAC3-(2-methoxy-5-prop-2-enylphenyl)-1-phenylpyrazole
SMILESC=CCc1ccc(OC)c(-c2ccn(-c3ccccc3)n2)c1
InChIInChI=1S/C19H18N2O/c1-3-7-15-10-11-19(22-2)17(14-15)18-12-13-21(20-18)16-8-5-4-6-9-16/h3-6,8-14H,1,7H2,2H3
InChIKeyCFFVEHJPZWRYCX-UHFFFAOYSA-N
MW290.37 g/mol
LogP4.28
Rot. Bonds5

About 3-(2-methoxy-5-prop-2-enylphenyl)-1-phenylpyrazole

3-(2-methoxy-5-prop-2-enylphenyl)-1-phenylpyrazole (PubChem CID 155513399) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is 3-(2-methoxy-5-prop-2-enylphenyl)-1-phenylpyrazole.

Molecular Properties

Compound Name3-(2-methoxy-5-prop-2-enylphenyl)-1-phenylpyrazole
PubChem CID155513399
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name3-(2-methoxy-5-prop-2-enylphenyl)-1-phenylpyrazole
SMILESC=CCc1ccc(OC)c(-c2ccn(-c3ccccc3)n2)c1
InChIInChI=1S/C19H18N2O/c1-3-7-15-10-11-19(22-2)17(14-15)18-12-13-21(20-18)16-8-5-4-6-9-16/h3-6,8-14H,1,7H2,2H3
InChIKeyCFFVEHJPZWRYCX-UHFFFAOYSA-N
XLogP4.28
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methanol
CID 882911
3-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde
CID 792340
[1-benzyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanol
CID 2496576
3-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde oxime
CID 6894322
1-[3-(2-fluoro-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-N-(3-pyridinylmethyl)methanamine
CID 16189779
2-[4-[4-methoxy-3-(1H-pyrazol-1-ylmethyl)benzyl]-1-(3-methyl-2-buten-1-yl)-2-piperazinyl]ethanol
CID 16192215
3-(4-methoxyphenyl)-N,N-dimethyl-1-phenyl-1H-pyrazole-4-carboxamide
CID 752166
2-(3-{2-[(4-fluorobenzyl)oxy]phenyl}-1H-pyrazol-1-yl)-1-ethanol
CID 1485523
3-[1-benzyl-3-(2-methoxyphenyl)-1H-pyrazol-4-yl]prop-2-enoic acid
CID 2526129
3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde oxime
CID 6898261
3-[1-(4-Carbamimidoylphenyl)triazol-4-yl]-4-methoxybenzenecarboximidamide
CID 44627437
[4-(4-Methoxyphenyl)-1-phenylpyrazol-3-yl]methanol
CID 2512462

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-5-prop-2-enylphenyl)-1-phenylpyrazole?
The IUPAC name of 3-(2-methoxy-5-prop-2-enylphenyl)-1-phenylpyrazole (CID 155513399) is 3-(2-methoxy-5-prop-2-enylphenyl)-1-phenylpyrazole.
What is the SMILES notation for 3-(2-methoxy-5-prop-2-enylphenyl)-1-phenylpyrazole?
The canonical SMILES for 3-(2-methoxy-5-prop-2-enylphenyl)-1-phenylpyrazole is C=CCc1ccc(OC)c(-c2ccn(-c3ccccc3)n2)c1.
What is the InChIKey of 3-(2-methoxy-5-prop-2-enylphenyl)-1-phenylpyrazole?
The InChIKey is CFFVEHJPZWRYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c1-3-7-15-10-11-19(22-2)17(14-15)18-12-13-21(20-18)16-8-5-4-6-9-16/h3-6,8-14H,1,7H2,2H3.
What are the key properties of 3-(2-methoxy-5-prop-2-enylphenyl)-1-phenylpyrazole?
3-(2-methoxy-5-prop-2-enylphenyl)-1-phenylpyrazole has a molecular weight of 290.37 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-5-prop-2-enylphenyl)-1-phenylpyrazole is sourced from PubChem (CID 155513399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).