N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide

C19H18N4O2 — CID 135788611

IUPACN-[(E)-1-(4-hydroxyphenyl)propylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCC/C(=N\NC(=O)c1cc(-c2ccccc2)n[nH]1)c1ccc(O)cc1
InChIInChI=1S/C19H18N4O2/c1-2-16(14-8-10-15(24)11-9-14)20-23-19(25)18-12-17(21-22-18)13-6-4-3-5-7-13/h3-12,24H,2H2,1H3,(H,21,22)(H,23,25)/b20-16+
InChIKeyIFJHOAHBKKLPKG-CAPFRKAQSA-N
MW334.38 g/mol
LogP3.33
Rot. Bonds5

About N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide

N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 135788611) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-(4-hydroxyphenyl)propylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID135788611
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC NameN-[(E)-1-(4-hydroxyphenyl)propylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCC/C(=N\NC(=O)c1cc(-c2ccccc2)n[nH]1)c1ccc(O)cc1
InChIInChI=1S/C19H18N4O2/c1-2-16(14-8-10-15(24)11-9-14)20-23-19(25)18-12-17(21-22-18)13-6-4-3-5-7-13/h3-12,24H,2H2,1H3,(H,21,22)(H,23,25)/b20-16+
InChIKeyIFJHOAHBKKLPKG-CAPFRKAQSA-N
XLogP3.33
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(4-ethylphenyl)-N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 136808343
3-(4-ethylphenyl)-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 6044027
N-[(Z)-1-(4-methylphenyl)ethylideneamino]-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide
CID 6116965
N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 135625926
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-1H-pyrrole-2-carboxamide
CID 135771089
3-phenyl-N'-propanoyl-1H-pyrazole-5-carbohydrazide
CID 2677236
N-[(4-hydroxyphenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 760671
4-hydroxy-N-[1-(4-methylphenyl)propylideneamino]benzamide
CID 4622646
4-ethyl-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]benzamide
CID 135673772
3-(4-fluorophenyl)-N-[(Z)-1-phenylethylideneamino]-1H-pyrazole-5-carboxamide
CID 6143430
3-(2-ethoxyphenyl)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 135547232
3-(2-ethoxyphenyl)-N-[1-(4-hydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 1128655

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide (CID 135788611) is N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide is CC/C(=N\NC(=O)c1cc(-c2ccccc2)n[nH]1)c1ccc(O)cc1.
What is the InChIKey of N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is IFJHOAHBKKLPKG-CAPFRKAQSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-2-16(14-8-10-15(24)11-9-14)20-23-19(25)18-12-17(21-22-18)13-6-4-3-5-7-13/h3-12,24H,2H2,1H3,(H,21,22)(H,23,25)/b20-16+.
What are the key properties of N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide?
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 3.33, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 135788611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).