1-[2-[(E)-2-phenylprop-1-enyl]phenyl]pyrazole

C18H16N2 — CID 155440138

IUPAC1-[2-[(E)-2-phenylprop-1-enyl]phenyl]pyrazole
SMILESC/C(=C\c1ccccc1-n1cccn1)c1ccccc1
InChIInChI=1S/C18H16N2/c1-15(16-8-3-2-4-9-16)14-17-10-5-6-11-18(17)20-13-7-12-19-20/h2-14H,1H3/b15-14+
InChIKeySJOMVSGOSVOCAT-CCEZHUSRSA-N
MW260.34 g/mol
LogP4.43
Rot. Bonds3

About 1-[2-[(E)-2-phenylprop-1-enyl]phenyl]pyrazole

1-[2-[(E)-2-phenylprop-1-enyl]phenyl]pyrazole (PubChem CID 155440138) has the molecular formula C18H16N2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-[2-[(E)-2-phenylprop-1-enyl]phenyl]pyrazole.

Molecular Properties

Compound Name1-[2-[(E)-2-phenylprop-1-enyl]phenyl]pyrazole
PubChem CID155440138
Molecular FormulaC18H16N2
Molecular Weight260.34 g/mol
Exact Mass260.13
IUPAC Name1-[2-[(E)-2-phenylprop-1-enyl]phenyl]pyrazole
SMILESC/C(=C\c1ccccc1-n1cccn1)c1ccccc1
InChIInChI=1S/C18H16N2/c1-15(16-8-3-2-4-9-16)14-17-10-5-6-11-18(17)20-13-7-12-19-20/h2-14H,1H3/b15-14+
InChIKeySJOMVSGOSVOCAT-CCEZHUSRSA-N
XLogP4.43
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(E)-2-phenylprop-1-enyl]phenyl]pyrazole?
The IUPAC name of 1-[2-[(E)-2-phenylprop-1-enyl]phenyl]pyrazole (CID 155440138) is 1-[2-[(E)-2-phenylprop-1-enyl]phenyl]pyrazole.
What is the SMILES notation for 1-[2-[(E)-2-phenylprop-1-enyl]phenyl]pyrazole?
The canonical SMILES for 1-[2-[(E)-2-phenylprop-1-enyl]phenyl]pyrazole is C/C(=C\c1ccccc1-n1cccn1)c1ccccc1.
What is the InChIKey of 1-[2-[(E)-2-phenylprop-1-enyl]phenyl]pyrazole?
The InChIKey is SJOMVSGOSVOCAT-CCEZHUSRSA-N. The full InChI is InChI=1S/C18H16N2/c1-15(16-8-3-2-4-9-16)14-17-10-5-6-11-18(17)20-13-7-12-19-20/h2-14H,1H3/b15-14+.
What are the key properties of 1-[2-[(E)-2-phenylprop-1-enyl]phenyl]pyrazole?
1-[2-[(E)-2-phenylprop-1-enyl]phenyl]pyrazole has a molecular weight of 260.34 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(E)-2-phenylprop-1-enyl]phenyl]pyrazole is sourced from PubChem (CID 155440138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).