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

C23H19N3O — CID 135464676

IUPAC4-[(E)-(3-methyl-1,4-diphenylpyrazol-5-yl)iminomethyl]phenol
SMILESCc1nn(-c2ccccc2)c(/N=C/c2ccc(O)cc2)c1-c1ccccc1
InChIInChI=1S/C23H19N3O/c1-17-22(19-8-4-2-5-9-19)23(24-16-18-12-14-21(27)15-13-18)26(25-17)20-10-6-3-7-11-20/h2-16,27H,1H3/b24-16+
InChIKeyRXVFWGSBVGEYKM-LFVJCYFKSA-N
MW353.43 g/mol
LogP5.30
Rot. Bonds4

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

4-[(E)-(3-methyl-1,4-diphenylpyrazol-5-yl)iminomethyl]phenol (PubChem CID 135464676) has the molecular formula C23H19N3O and a molecular weight of 353.43 g/mol. Its IUPAC name is 4-[(E)-(3-methyl-1,4-diphenylpyrazol-5-yl)iminomethyl]phenol.

Molecular Properties

Compound Name4-[(E)-(3-methyl-1,4-diphenylpyrazol-5-yl)iminomethyl]phenol
PubChem CID135464676
Molecular FormulaC23H19N3O
Molecular Weight353.43 g/mol
Exact Mass353.15
IUPAC Name4-[(E)-(3-methyl-1,4-diphenylpyrazol-5-yl)iminomethyl]phenol
SMILESCc1nn(-c2ccccc2)c(/N=C/c2ccc(O)cc2)c1-c1ccccc1
InChIInChI=1S/C23H19N3O/c1-17-22(19-8-4-2-5-9-19)23(24-16-18-12-14-21(27)15-13-18)26(25-17)20-10-6-3-7-11-20/h2-16,27H,1H3/b24-16+
InChIKeyRXVFWGSBVGEYKM-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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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-(3-methyl-1,4-diphenylpyrazol-5-yl)iminomethyl]phenol?
The IUPAC name of 4-[(E)-(3-methyl-1,4-diphenylpyrazol-5-yl)iminomethyl]phenol (CID 135464676) is 4-[(E)-(3-methyl-1,4-diphenylpyrazol-5-yl)iminomethyl]phenol.
What is the SMILES notation for 4-[(E)-(3-methyl-1,4-diphenylpyrazol-5-yl)iminomethyl]phenol?
The canonical SMILES for 4-[(E)-(3-methyl-1,4-diphenylpyrazol-5-yl)iminomethyl]phenol is Cc1nn(-c2ccccc2)c(/N=C/c2ccc(O)cc2)c1-c1ccccc1.
What is the InChIKey of 4-[(E)-(3-methyl-1,4-diphenylpyrazol-5-yl)iminomethyl]phenol?
The InChIKey is RXVFWGSBVGEYKM-LFVJCYFKSA-N. The full InChI is InChI=1S/C23H19N3O/c1-17-22(19-8-4-2-5-9-19)23(24-16-18-12-14-21(27)15-13-18)26(25-17)20-10-6-3-7-11-20/h2-16,27H,1H3/b24-16+.
What are the key properties of 4-[(E)-(3-methyl-1,4-diphenylpyrazol-5-yl)iminomethyl]phenol?
4-[(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 4-[(E)-(3-methyl-1,4-diphenylpyrazol-5-yl)iminomethyl]phenol is sourced from PubChem (CID 135464676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).