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

C16H18N2O — CID 155520549

IUPAC3-(2-methoxy-5-prop-2-enylphenyl)-1-prop-2-enylpyrazole
SMILESC=CCc1ccc(OC)c(-c2ccn(CC=C)n2)c1
InChIInChI=1S/C16H18N2O/c1-4-6-13-7-8-16(19-3)14(12-13)15-9-11-18(17-15)10-5-2/h4-5,7-9,11-12H,1-2,6,10H2,3H3
InChIKeyNVTRYUBVMZNLIQ-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.47
Rot. Bonds6

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

3-(2-methoxy-5-prop-2-enylphenyl)-1-prop-2-enylpyrazole (PubChem CID 155520549) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-(2-methoxy-5-prop-2-enylphenyl)-1-prop-2-enylpyrazole.

Molecular Properties

Compound Name3-(2-methoxy-5-prop-2-enylphenyl)-1-prop-2-enylpyrazole
PubChem CID155520549
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name3-(2-methoxy-5-prop-2-enylphenyl)-1-prop-2-enylpyrazole
SMILESC=CCc1ccc(OC)c(-c2ccn(CC=C)n2)c1
InChIInChI=1S/C16H18N2O/c1-4-6-13-7-8-16(19-3)14(12-13)15-9-11-18(17-15)10-5-2/h4-5,7-9,11-12H,1-2,6,10H2,3H3
InChIKeyNVTRYUBVMZNLIQ-UHFFFAOYSA-N
XLogP3.47
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.47
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
[1-benzyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanol
CID 2496576
({1-[2-(4-methoxyphenyl)ethyl]-4-piperidinyl}methyl)methyl[(1-phenyl-1H-pyrazol-4-yl)methyl]amine
CID 26325235
2-Isopropyl-3-(4-methoxy-phenyl)-2,4,5,6,7,8-hexahydro-1,2,6-triaza-azulene
CID 11358099
3-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde oxime
CID 6894322
2-[4-[4-methoxy-3-(1H-pyrazol-1-ylmethyl)benzyl]-1-(3-methyl-2-buten-1-yl)-2-piperazinyl]ethanol
CID 16192215
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
[4-(4-Methoxyphenyl)-1-phenylpyrazol-3-yl]methanol
CID 2512462
3-[4-(4-Fluoro-phenoxy)-phenyl]-1-methyl-1H-pyrazole
CID 11242617
3-(4-methoxyphenyl)-2-(pyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole
CID 21992651
3-methyl-4-[(2S)-1-[3-(2-methylpyrazol-3-yl)phenoxy]propan-2-yl]oxybenzonitrile
CID 138471279

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-5-prop-2-enylphenyl)-1-prop-2-enylpyrazole?
The IUPAC name of 3-(2-methoxy-5-prop-2-enylphenyl)-1-prop-2-enylpyrazole (CID 155520549) is 3-(2-methoxy-5-prop-2-enylphenyl)-1-prop-2-enylpyrazole.
What is the SMILES notation for 3-(2-methoxy-5-prop-2-enylphenyl)-1-prop-2-enylpyrazole?
The canonical SMILES for 3-(2-methoxy-5-prop-2-enylphenyl)-1-prop-2-enylpyrazole is C=CCc1ccc(OC)c(-c2ccn(CC=C)n2)c1.
What is the InChIKey of 3-(2-methoxy-5-prop-2-enylphenyl)-1-prop-2-enylpyrazole?
The InChIKey is NVTRYUBVMZNLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-4-6-13-7-8-16(19-3)14(12-13)15-9-11-18(17-15)10-5-2/h4-5,7-9,11-12H,1-2,6,10H2,3H3.
What are the key properties of 3-(2-methoxy-5-prop-2-enylphenyl)-1-prop-2-enylpyrazole?
3-(2-methoxy-5-prop-2-enylphenyl)-1-prop-2-enylpyrazole has a molecular weight of 254.33 g/mol, XLogP of 3.47, 6 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-prop-2-enylpyrazole is sourced from PubChem (CID 155520549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).