1-[1-(2-prop-2-enylphenyl)prop-2-enyl]pyrazole

C15H16N2 — CID 69328104

IUPAC1-[1-(2-prop-2-enylphenyl)prop-2-enyl]pyrazole
SMILESC=CCc1ccccc1C(C=C)n1cccn1
InChIInChI=1S/C15H16N2/c1-3-8-13-9-5-6-10-14(13)15(4-2)17-12-7-11-16-17/h3-7,9-12,15H,1-2,8H2
InChIKeyOCRZGTSUYDMUPX-UHFFFAOYSA-N
MW224.31 g/mol
LogP3.39
Rot. Bonds5

About 1-[1-(2-prop-2-enylphenyl)prop-2-enyl]pyrazole

1-[1-(2-prop-2-enylphenyl)prop-2-enyl]pyrazole (PubChem CID 69328104) has the molecular formula C15H16N2 and a molecular weight of 224.31 g/mol. Its IUPAC name is 1-[1-(2-prop-2-enylphenyl)prop-2-enyl]pyrazole.

Molecular Properties

Compound Name1-[1-(2-prop-2-enylphenyl)prop-2-enyl]pyrazole
PubChem CID69328104
Molecular FormulaC15H16N2
Molecular Weight224.31 g/mol
Exact Mass224.13
IUPAC Name1-[1-(2-prop-2-enylphenyl)prop-2-enyl]pyrazole
SMILESC=CCc1ccccc1C(C=C)n1cccn1
InChIInChI=1S/C15H16N2/c1-3-8-13-9-5-6-10-14(13)15(4-2)17-12-7-11-16-17/h3-7,9-12,15H,1-2,8H2
InChIKeyOCRZGTSUYDMUPX-UHFFFAOYSA-N
XLogP3.39
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 53.39
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 1-[1-(2-prop-2-enylphenyl)prop-2-enyl]pyrazole?
The IUPAC name of 1-[1-(2-prop-2-enylphenyl)prop-2-enyl]pyrazole (CID 69328104) is 1-[1-(2-prop-2-enylphenyl)prop-2-enyl]pyrazole.
What is the SMILES notation for 1-[1-(2-prop-2-enylphenyl)prop-2-enyl]pyrazole?
The canonical SMILES for 1-[1-(2-prop-2-enylphenyl)prop-2-enyl]pyrazole is C=CCc1ccccc1C(C=C)n1cccn1.
What is the InChIKey of 1-[1-(2-prop-2-enylphenyl)prop-2-enyl]pyrazole?
The InChIKey is OCRZGTSUYDMUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2/c1-3-8-13-9-5-6-10-14(13)15(4-2)17-12-7-11-16-17/h3-7,9-12,15H,1-2,8H2.
What are the key properties of 1-[1-(2-prop-2-enylphenyl)prop-2-enyl]pyrazole?
1-[1-(2-prop-2-enylphenyl)prop-2-enyl]pyrazole has a molecular weight of 224.31 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-prop-2-enylphenyl)prop-2-enyl]pyrazole is sourced from PubChem (CID 69328104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).