2-[(E)-(3-methyl-1,4-diphenylpyrazol-5-yl)iminomethyl]phenol

C23H19N3O — CID 135464675

IUPAC2-[(E)-(3-methyl-1,4-diphenylpyrazol-5-yl)iminomethyl]phenol
SMILESCc1nn(-c2ccccc2)c(/N=C/c2ccccc2O)c1-c1ccccc1
InChIInChI=1S/C23H19N3O/c1-17-22(18-10-4-2-5-11-18)23(24-16-19-12-8-9-15-21(19)27)26(25-17)20-13-6-3-7-14-20/h2-16,27H,1H3/b24-16+
InChIKeyZKGPVVHWUJZKMN-LFVJCYFKSA-N
MW353.43 g/mol
LogP5.30
Rot. Bonds4

About 2-[(E)-(3-methyl-1,4-diphenylpyrazol-5-yl)iminomethyl]phenol

2-[(E)-(3-methyl-1,4-diphenylpyrazol-5-yl)iminomethyl]phenol (PubChem CID 135464675) has the molecular formula C23H19N3O and a molecular weight of 353.43 g/mol. Its IUPAC name is 2-[(E)-(3-methyl-1,4-diphenylpyrazol-5-yl)iminomethyl]phenol.

Molecular Properties

Compound Name2-[(E)-(3-methyl-1,4-diphenylpyrazol-5-yl)iminomethyl]phenol
PubChem CID135464675
Molecular FormulaC23H19N3O
Molecular Weight353.43 g/mol
Exact Mass353.15
IUPAC Name2-[(E)-(3-methyl-1,4-diphenylpyrazol-5-yl)iminomethyl]phenol
SMILESCc1nn(-c2ccccc2)c(/N=C/c2ccccc2O)c1-c1ccccc1
InChIInChI=1S/C23H19N3O/c1-17-22(18-10-4-2-5-11-18)23(24-16-19-12-8-9-15-21(19)27)26(25-17)20-13-6-3-7-14-20/h2-16,27H,1H3/b24-16+
InChIKeyZKGPVVHWUJZKMN-LFVJCYFKSA-N
XLogP5.30
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.43
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(3,5-Dimethyl-1-phenylpyrazol-4-yl)phenol
CID 832558
4-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl]benzenol
CID 1478286
2-{[6-(3-Methyl-5-phenyl-pyrazol-1-yl)-pyrimidin-4-yl]-hydrazonomethyl}-phenol
CID 135498029
2-(1-benzyl-3-phenyl-1H-pyrazol-5-yl)phenol
CID 2380220
4-Methyl-6-(2-phenyl-1,2-dihydro-3H-pyrazol-3-ylidene)cyclohexa-2,4-dien-1-one
CID 353508
4-[(5-Methyl-2,4-diphenyl-2H-pyrazol-3-ylimino)-methyl]-phenol
CID 135464676
2-(5-Methyl-1-phenyl-pyrazol-3-yl)phenol
CID 135465497
Estrogen receptor-agonist-1
CID 135494350
1-Phenyl-3,5-bis(4-hydroxyphenyl)-4-ethyl-1H-pyrazole
CID 135515457
4-[3-(4-Hydroxyphenyl)-1-phenylpyrazol-5-yl]phenol
CID 136099147
US10308614, Example 188
CID 137029401
2-[[4-(3,5-Ditert-butylpyrazol-1-yl)phenyl]iminomethyl]phenol
CID 2742051

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(3-methyl-1,4-diphenylpyrazol-5-yl)iminomethyl]phenol?
The IUPAC name of 2-[(E)-(3-methyl-1,4-diphenylpyrazol-5-yl)iminomethyl]phenol (CID 135464675) is 2-[(E)-(3-methyl-1,4-diphenylpyrazol-5-yl)iminomethyl]phenol.
What is the SMILES notation for 2-[(E)-(3-methyl-1,4-diphenylpyrazol-5-yl)iminomethyl]phenol?
The canonical SMILES for 2-[(E)-(3-methyl-1,4-diphenylpyrazol-5-yl)iminomethyl]phenol is Cc1nn(-c2ccccc2)c(/N=C/c2ccccc2O)c1-c1ccccc1.
What is the InChIKey of 2-[(E)-(3-methyl-1,4-diphenylpyrazol-5-yl)iminomethyl]phenol?
The InChIKey is ZKGPVVHWUJZKMN-LFVJCYFKSA-N. The full InChI is InChI=1S/C23H19N3O/c1-17-22(18-10-4-2-5-11-18)23(24-16-19-12-8-9-15-21(19)27)26(25-17)20-13-6-3-7-14-20/h2-16,27H,1H3/b24-16+.
What are the key properties of 2-[(E)-(3-methyl-1,4-diphenylpyrazol-5-yl)iminomethyl]phenol?
2-[(E)-(3-methyl-1,4-diphenylpyrazol-5-yl)iminomethyl]phenol has a molecular weight of 353.43 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(3-methyl-1,4-diphenylpyrazol-5-yl)iminomethyl]phenol is sourced from PubChem (CID 135464675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).