5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-phenyl-1H-pyrazole

C18H16N2O — CID 71770202

IUPAC5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-phenyl-1H-pyrazole
SMILESCOc1ccc(/C=C/c2cc(-c3ccccc3)n[nH]2)cc1
InChIInChI=1S/C18H16N2O/c1-21-17-11-8-14(9-12-17)7-10-16-13-18(20-19-16)15-5-3-2-4-6-15/h2-13H,1H3,(H,19,20)/b10-7+
InChIKeyZNHVDSQQBQIILR-JXMROGBWSA-N
MW276.34 g/mol
LogP4.26
Rot. Bonds4

About 5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-phenyl-1H-pyrazole

5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-phenyl-1H-pyrazole (PubChem CID 71770202) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-phenyl-1H-pyrazole.

Molecular Properties

Compound Name5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-phenyl-1H-pyrazole
PubChem CID71770202
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-phenyl-1H-pyrazole
SMILESCOc1ccc(/C=C/c2cc(-c3ccccc3)n[nH]2)cc1
InChIInChI=1S/C18H16N2O/c1-21-17-11-8-14(9-12-17)7-10-16-13-18(20-19-16)15-5-3-2-4-6-15/h2-13H,1H3,(H,19,20)/b10-7+
InChIKeyZNHVDSQQBQIILR-JXMROGBWSA-N
XLogP4.26
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-phenyl-1H-pyrazole?
The IUPAC name of 5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-phenyl-1H-pyrazole (CID 71770202) is 5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-phenyl-1H-pyrazole.
What is the SMILES notation for 5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-phenyl-1H-pyrazole?
The canonical SMILES for 5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-phenyl-1H-pyrazole is COc1ccc(/C=C/c2cc(-c3ccccc3)n[nH]2)cc1.
What is the InChIKey of 5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-phenyl-1H-pyrazole?
The InChIKey is ZNHVDSQQBQIILR-JXMROGBWSA-N. The full InChI is InChI=1S/C18H16N2O/c1-21-17-11-8-14(9-12-17)7-10-16-13-18(20-19-16)15-5-3-2-4-6-15/h2-13H,1H3,(H,19,20)/b10-7+.
What are the key properties of 5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-phenyl-1H-pyrazole?
5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-phenyl-1H-pyrazole has a molecular weight of 276.34 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-phenyl-1H-pyrazole is sourced from PubChem (CID 71770202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).