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

C24H20N2O — CID 11057297

IUPAC5-(4-methoxyphenyl)-1-phenyl-3-[(E)-2-phenylethenyl]pyrazole
SMILESCOc1ccc(-c2cc(/C=C/c3ccccc3)nn2-c2ccccc2)cc1
InChIInChI=1S/C24H20N2O/c1-27-23-16-13-20(14-17-23)24-18-21(15-12-19-8-4-2-5-9-19)25-26(24)22-10-6-3-7-11-22/h2-18H,1H3/b15-12+
InChIKeyVNIOCPFGPRPZPB-NTCAYCPXSA-N
MW352.44 g/mol
LogP5.72
Rot. Bonds5

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

5-(4-methoxyphenyl)-1-phenyl-3-[(E)-2-phenylethenyl]pyrazole (PubChem CID 11057297) has the molecular formula C24H20N2O and a molecular weight of 352.44 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-1-phenyl-3-[(E)-2-phenylethenyl]pyrazole.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-1-phenyl-3-[(E)-2-phenylethenyl]pyrazole
PubChem CID11057297
Molecular FormulaC24H20N2O
Molecular Weight352.44 g/mol
Exact Mass352.16
IUPAC Name5-(4-methoxyphenyl)-1-phenyl-3-[(E)-2-phenylethenyl]pyrazole
SMILESCOc1ccc(-c2cc(/C=C/c3ccccc3)nn2-c2ccccc2)cc1
InChIInChI=1S/C24H20N2O/c1-27-23-16-13-20(14-17-23)24-18-21(15-12-19-8-4-2-5-9-19)25-26(24)22-10-6-3-7-11-22/h2-18H,1H3/b15-12+
InChIKeyVNIOCPFGPRPZPB-NTCAYCPXSA-N
XLogP5.72
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.44
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]ethenyl]-N,N-dimethylaniline
CID 57080412
methyl 5-(4-methoxyphenyl)-3-[(E)-2-phenylethenyl]pyrazole-1-carboxylate
CID 11099694
4-[3-[2-(4-tert-butylphenyl)ethenyl]-1-phenylpyrazol-5-yl]phenol
CID 136608073
ethyl 5-(4-methoxyphenyl)-3-[(E)-2-phenylethenyl]pyrazole-1-carboxylate
CID 10970105
5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-3-carbaldehyde
CID 54077138
1-phenyl-3,5-bis[(E)-2-phenylethenyl]pyrazole
CID 11302502
3-(3-bromophenyl)-5-(4-methoxyphenyl)-1-phenylpyrazole
CID 71713430
2-(4-methoxyphenyl)-6-[(E)-2-phenylethenyl]pyridine
CID 135025720
3-[4-[2-(4-chlorophenyl)ethynyl]phenyl]-5-(4-methoxyphenyl)-1-phenylpyrazole
CID 91273356
1-methoxy-4-[2-[4-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
CID 54482883
2-(4-methoxyphenyl)-5-[5-(4-methylphenyl)-1-phenylpyrazol-3-yl]-1,3,4-oxadiazole
CID 1497065
5-(4-methoxyphenyl)-N-methyl-1-phenyl-N-propan-2-ylpyrazole-3-carboxamide
CID 166208629

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-1-phenyl-3-[(E)-2-phenylethenyl]pyrazole?
The IUPAC name of 5-(4-methoxyphenyl)-1-phenyl-3-[(E)-2-phenylethenyl]pyrazole (CID 11057297) is 5-(4-methoxyphenyl)-1-phenyl-3-[(E)-2-phenylethenyl]pyrazole.
What is the SMILES notation for 5-(4-methoxyphenyl)-1-phenyl-3-[(E)-2-phenylethenyl]pyrazole?
The canonical SMILES for 5-(4-methoxyphenyl)-1-phenyl-3-[(E)-2-phenylethenyl]pyrazole is COc1ccc(-c2cc(/C=C/c3ccccc3)nn2-c2ccccc2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-1-phenyl-3-[(E)-2-phenylethenyl]pyrazole?
The InChIKey is VNIOCPFGPRPZPB-NTCAYCPXSA-N. The full InChI is InChI=1S/C24H20N2O/c1-27-23-16-13-20(14-17-23)24-18-21(15-12-19-8-4-2-5-9-19)25-26(24)22-10-6-3-7-11-22/h2-18H,1H3/b15-12+.
What are the key properties of 5-(4-methoxyphenyl)-1-phenyl-3-[(E)-2-phenylethenyl]pyrazole?
5-(4-methoxyphenyl)-1-phenyl-3-[(E)-2-phenylethenyl]pyrazole has a molecular weight of 352.44 g/mol, XLogP of 5.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-1-phenyl-3-[(E)-2-phenylethenyl]pyrazole is sourced from PubChem (CID 11057297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).