1-(3-methoxypropyl)-4-(3-phenylphenyl)pyrazole

C19H20N2O — CID 166333734

IUPAC1-(3-methoxypropyl)-4-(3-phenylphenyl)pyrazole
SMILESCOCCCn1cc(-c2cccc(-c3ccccc3)c2)cn1
InChIInChI=1S/C19H20N2O/c1-22-12-6-11-21-15-19(14-20-21)18-10-5-9-17(13-18)16-7-3-2-4-8-16/h2-5,7-10,13-15H,6,11-12H2,1H3
InChIKeySBPDKJOVYQKUBO-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.25
Rot. Bonds6

About 1-(3-methoxypropyl)-4-(3-phenylphenyl)pyrazole

1-(3-methoxypropyl)-4-(3-phenylphenyl)pyrazole (PubChem CID 166333734) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-4-(3-phenylphenyl)pyrazole.

Molecular Properties

Compound Name1-(3-methoxypropyl)-4-(3-phenylphenyl)pyrazole
PubChem CID166333734
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name1-(3-methoxypropyl)-4-(3-phenylphenyl)pyrazole
SMILESCOCCCn1cc(-c2cccc(-c3ccccc3)c2)cn1
InChIInChI=1S/C19H20N2O/c1-22-12-6-11-21-15-19(14-20-21)18-10-5-9-17(13-18)16-7-3-2-4-8-16/h2-5,7-10,13-15H,6,11-12H2,1H3
InChIKeySBPDKJOVYQKUBO-UHFFFAOYSA-N
XLogP4.25
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-4-(3-phenylphenyl)pyrazole?
The IUPAC name of 1-(3-methoxypropyl)-4-(3-phenylphenyl)pyrazole (CID 166333734) is 1-(3-methoxypropyl)-4-(3-phenylphenyl)pyrazole.
What is the SMILES notation for 1-(3-methoxypropyl)-4-(3-phenylphenyl)pyrazole?
The canonical SMILES for 1-(3-methoxypropyl)-4-(3-phenylphenyl)pyrazole is COCCCn1cc(-c2cccc(-c3ccccc3)c2)cn1.
What is the InChIKey of 1-(3-methoxypropyl)-4-(3-phenylphenyl)pyrazole?
The InChIKey is SBPDKJOVYQKUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-22-12-6-11-21-15-19(14-20-21)18-10-5-9-17(13-18)16-7-3-2-4-8-16/h2-5,7-10,13-15H,6,11-12H2,1H3.
What are the key properties of 1-(3-methoxypropyl)-4-(3-phenylphenyl)pyrazole?
1-(3-methoxypropyl)-4-(3-phenylphenyl)pyrazole has a molecular weight of 292.38 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-4-(3-phenylphenyl)pyrazole is sourced from PubChem (CID 166333734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).