5-(4-methylphenyl)-3-phenyl-1-prop-2-enylpyrazole

C19H18N2 — CID 134846626

IUPAC5-(4-methylphenyl)-3-phenyl-1-prop-2-enylpyrazole
SMILESC=CCn1nc(-c2ccccc2)cc1-c1ccc(C)cc1
InChIInChI=1S/C19H18N2/c1-3-13-21-19(17-11-9-15(2)10-12-17)14-18(20-21)16-7-5-4-6-8-16/h3-12,14H,1,13H2,2H3
InChIKeyMGDQVLQQCDWZBX-UHFFFAOYSA-N
MW274.37 g/mol
LogP4.71
Rot. Bonds4

About 5-(4-methylphenyl)-3-phenyl-1-prop-2-enylpyrazole

5-(4-methylphenyl)-3-phenyl-1-prop-2-enylpyrazole (PubChem CID 134846626) has the molecular formula C19H18N2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 5-(4-methylphenyl)-3-phenyl-1-prop-2-enylpyrazole.

Molecular Properties

Compound Name5-(4-methylphenyl)-3-phenyl-1-prop-2-enylpyrazole
PubChem CID134846626
Molecular FormulaC19H18N2
Molecular Weight274.37 g/mol
Exact Mass274.15
IUPAC Name5-(4-methylphenyl)-3-phenyl-1-prop-2-enylpyrazole
SMILESC=CCn1nc(-c2ccccc2)cc1-c1ccc(C)cc1
InChIInChI=1S/C19H18N2/c1-3-13-21-19(17-11-9-15(2)10-12-17)14-18(20-21)16-7-5-4-6-8-16/h3-12,14H,1,13H2,2H3
InChIKeyMGDQVLQQCDWZBX-UHFFFAOYSA-N
XLogP4.71
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-3-phenyl-1-prop-2-enylpyrazole?
The IUPAC name of 5-(4-methylphenyl)-3-phenyl-1-prop-2-enylpyrazole (CID 134846626) is 5-(4-methylphenyl)-3-phenyl-1-prop-2-enylpyrazole.
What is the SMILES notation for 5-(4-methylphenyl)-3-phenyl-1-prop-2-enylpyrazole?
The canonical SMILES for 5-(4-methylphenyl)-3-phenyl-1-prop-2-enylpyrazole is C=CCn1nc(-c2ccccc2)cc1-c1ccc(C)cc1.
What is the InChIKey of 5-(4-methylphenyl)-3-phenyl-1-prop-2-enylpyrazole?
The InChIKey is MGDQVLQQCDWZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2/c1-3-13-21-19(17-11-9-15(2)10-12-17)14-18(20-21)16-7-5-4-6-8-16/h3-12,14H,1,13H2,2H3.
What are the key properties of 5-(4-methylphenyl)-3-phenyl-1-prop-2-enylpyrazole?
5-(4-methylphenyl)-3-phenyl-1-prop-2-enylpyrazole has a molecular weight of 274.37 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-3-phenyl-1-prop-2-enylpyrazole is sourced from PubChem (CID 134846626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).