1-phenyl-3,5-bis[(E)-2-phenylethenyl]pyrazole

C25H20N2 — CID 11302502

IUPAC1-phenyl-3,5-bis[(E)-2-phenylethenyl]pyrazole
SMILESC(=C/c1cc(/C=C/c2ccccc2)n(-c2ccccc2)n1)\c1ccccc1
InChIInChI=1S/C25H20N2/c1-4-10-21(11-5-1)16-18-23-20-25(19-17-22-12-6-2-7-13-22)27(26-23)24-14-8-3-9-15-24/h1-20H/b18-16+,19-17+
InChIKeyLTKSDKSKARLKBA-YWNVXTCZSA-N
MW348.45 g/mol
LogP6.21
Rot. Bonds5

About 1-phenyl-3,5-bis[(E)-2-phenylethenyl]pyrazole

1-phenyl-3,5-bis[(E)-2-phenylethenyl]pyrazole (PubChem CID 11302502) has the molecular formula C25H20N2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-phenyl-3,5-bis[(E)-2-phenylethenyl]pyrazole.

Molecular Properties

Compound Name1-phenyl-3,5-bis[(E)-2-phenylethenyl]pyrazole
PubChem CID11302502
Molecular FormulaC25H20N2
Molecular Weight348.45 g/mol
Exact Mass348.16
IUPAC Name1-phenyl-3,5-bis[(E)-2-phenylethenyl]pyrazole
SMILESC(=C/c1cc(/C=C/c2ccccc2)n(-c2ccccc2)n1)\c1ccccc1
InChIInChI=1S/C25H20N2/c1-4-10-21(11-5-1)16-18-23-20-25(19-17-22-12-6-2-7-13-22)27(26-23)24-14-8-3-9-15-24/h1-20H/b18-16+,19-17+
InChIKeyLTKSDKSKARLKBA-YWNVXTCZSA-N
XLogP6.21
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.45
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-[3-[2-(3-hydroxyphenyl)ethenyl]-1-phenylpyrazol-5-yl]ethenyl]phenol
CID 71416893
trimethyl-[2-[2-[1-phenyl-5-[2-(4-trimethylsilylphenyl)ethenyl]pyrazol-3-yl]ethenyl]phenyl]silane
CID 90780530
5-(4-methoxyphenyl)-1-phenyl-3-[(E)-2-phenylethenyl]pyrazole
CID 11057297
4-[3-[2-(4-tert-butylphenyl)ethenyl]-1-phenylpyrazol-5-yl]phenol
CID 136608073
4-[5-[(E)-2-phenylethenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 22315667
2-[5-[(E)-2-(4-nitrophenyl)ethenyl]-1-phenylpyrazol-3-yl]phenol
CID 135495141
4-[(E)-2-[3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]ethenyl]-2-methoxyphenol
CID 135518353
2-[2-(1-phenyl-3-phenylmethoxypyrazol-5-yl)ethenyl]pyridine
CID 69216426
methyl 4-[3,5-bis[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazol-1-yl]benzoate
CID 162665812
2-methoxy-4-[(E)-2-[3-[(E)-2-(3-methoxyphenyl)ethenyl]-1-(4-nitrophenyl)pyrazol-5-yl]ethenyl]phenol
CID 143757803
4-[2-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]ethenyl]-N,N-dimethylaniline
CID 57080412
4-[(E)-2-[1-(2-fluorophenyl)-3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazol-5-yl]ethenyl]-2-methoxyphenol
CID 137158246

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3,5-bis[(E)-2-phenylethenyl]pyrazole?
The IUPAC name of 1-phenyl-3,5-bis[(E)-2-phenylethenyl]pyrazole (CID 11302502) is 1-phenyl-3,5-bis[(E)-2-phenylethenyl]pyrazole.
What is the SMILES notation for 1-phenyl-3,5-bis[(E)-2-phenylethenyl]pyrazole?
The canonical SMILES for 1-phenyl-3,5-bis[(E)-2-phenylethenyl]pyrazole is C(=C/c1cc(/C=C/c2ccccc2)n(-c2ccccc2)n1)\c1ccccc1.
What is the InChIKey of 1-phenyl-3,5-bis[(E)-2-phenylethenyl]pyrazole?
The InChIKey is LTKSDKSKARLKBA-YWNVXTCZSA-N. The full InChI is InChI=1S/C25H20N2/c1-4-10-21(11-5-1)16-18-23-20-25(19-17-22-12-6-2-7-13-22)27(26-23)24-14-8-3-9-15-24/h1-20H/b18-16+,19-17+.
What are the key properties of 1-phenyl-3,5-bis[(E)-2-phenylethenyl]pyrazole?
1-phenyl-3,5-bis[(E)-2-phenylethenyl]pyrazole has a molecular weight of 348.45 g/mol, XLogP of 6.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3,5-bis[(E)-2-phenylethenyl]pyrazole is sourced from PubChem (CID 11302502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).