2-[5-[(E)-2-(4-nitrophenyl)ethenyl]-1-phenylpyrazol-3-yl]phenol

C23H17N3O3 — CID 135495141

IUPAC2-[5-[(E)-2-(4-nitrophenyl)ethenyl]-1-phenylpyrazol-3-yl]phenol
SMILESO=[N+]([O-])c1ccc(/C=C/c2cc(-c3ccccc3O)nn2-c2ccccc2)cc1
InChIInChI=1S/C23H17N3O3/c27-23-9-5-4-8-21(23)22-16-20(25(24-22)18-6-2-1-3-7-18)15-12-17-10-13-19(14-11-17)26(28)29/h1-16,27H/b15-12+
InChIKeyGZGWFLDERUKRNU-NTCAYCPXSA-N
MW383.41 g/mol
LogP5.32
Rot. Bonds5

About 2-[5-[(E)-2-(4-nitrophenyl)ethenyl]-1-phenylpyrazol-3-yl]phenol

2-[5-[(E)-2-(4-nitrophenyl)ethenyl]-1-phenylpyrazol-3-yl]phenol (PubChem CID 135495141) has the molecular formula C23H17N3O3 and a molecular weight of 383.41 g/mol. Its IUPAC name is 2-[5-[(E)-2-(4-nitrophenyl)ethenyl]-1-phenylpyrazol-3-yl]phenol.

Molecular Properties

Compound Name2-[5-[(E)-2-(4-nitrophenyl)ethenyl]-1-phenylpyrazol-3-yl]phenol
PubChem CID135495141
Molecular FormulaC23H17N3O3
Molecular Weight383.41 g/mol
Exact Mass383.13
IUPAC Name2-[5-[(E)-2-(4-nitrophenyl)ethenyl]-1-phenylpyrazol-3-yl]phenol
SMILESO=[N+]([O-])c1ccc(/C=C/c2cc(-c3ccccc3O)nn2-c2ccccc2)cc1
InChIInChI=1S/C23H17N3O3/c27-23-9-5-4-8-21(23)22-16-20(25(24-22)18-6-2-1-3-7-18)15-12-17-10-13-19(14-11-17)26(28)29/h1-16,27H/b15-12+
InChIKeyGZGWFLDERUKRNU-NTCAYCPXSA-N
XLogP5.32
TPSA81.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.41
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-4-[(E)-2-[3-[(E)-2-(3-methoxyphenyl)ethenyl]-1-(4-nitrophenyl)pyrazol-5-yl]ethenyl]phenol
CID 143757803
1-[(E)-2-(4-nitrophenyl)ethenyl]-4-phenylbenzene
CID 6242844
1-[(E)-2-(4-nitrophenyl)ethenyl]-4-[(E)-2-[4-(1,2,2-triphenylethenyl)phenyl]ethenyl]benzene
CID 122387900
1-[(E)-2-(4-nitrophenyl)ethenyl]-4-(1,2,2-triphenylethenyl)benzene
CID 122387898
1-phenyl-3,5-bis[(E)-2-phenylethenyl]pyrazole
CID 11302502
5-[2-(4-nitrophenyl)ethenyl]benzene-1,3-diol
CID 68740509
2-[(1,3-diphenylpyrazol-5-yl)iminomethyl]-4-nitrophenol
CID 4520619
2-[2-(3,4-dihydroxyphenyl)ethenyl]-3-(4-nitrophenyl)quinazolin-4-one
CID 3628212
1,5-bis[2-(4-nitrophenyl)ethenyl]anthracene-9,10-dione
CID 71408520
3-[2-(4-bromophenyl)ethenyl]-1-(4-nitrophenyl)cyclohepta[c]pyrazol-8-one
CID 71966620
[3-(2-chlorophenyl)-1-phenylpyrazol-5-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 42759317
1-nitro-4-[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]benzene
CID 6258529

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(E)-2-(4-nitrophenyl)ethenyl]-1-phenylpyrazol-3-yl]phenol?
The IUPAC name of 2-[5-[(E)-2-(4-nitrophenyl)ethenyl]-1-phenylpyrazol-3-yl]phenol (CID 135495141) is 2-[5-[(E)-2-(4-nitrophenyl)ethenyl]-1-phenylpyrazol-3-yl]phenol.
What is the SMILES notation for 2-[5-[(E)-2-(4-nitrophenyl)ethenyl]-1-phenylpyrazol-3-yl]phenol?
The canonical SMILES for 2-[5-[(E)-2-(4-nitrophenyl)ethenyl]-1-phenylpyrazol-3-yl]phenol is O=[N+]([O-])c1ccc(/C=C/c2cc(-c3ccccc3O)nn2-c2ccccc2)cc1.
What is the InChIKey of 2-[5-[(E)-2-(4-nitrophenyl)ethenyl]-1-phenylpyrazol-3-yl]phenol?
The InChIKey is GZGWFLDERUKRNU-NTCAYCPXSA-N. The full InChI is InChI=1S/C23H17N3O3/c27-23-9-5-4-8-21(23)22-16-20(25(24-22)18-6-2-1-3-7-18)15-12-17-10-13-19(14-11-17)26(28)29/h1-16,27H/b15-12+.
What are the key properties of 2-[5-[(E)-2-(4-nitrophenyl)ethenyl]-1-phenylpyrazol-3-yl]phenol?
2-[5-[(E)-2-(4-nitrophenyl)ethenyl]-1-phenylpyrazol-3-yl]phenol has a molecular weight of 383.41 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(E)-2-(4-nitrophenyl)ethenyl]-1-phenylpyrazol-3-yl]phenol is sourced from PubChem (CID 135495141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).