3-[(4-hydroxyphenyl)methylideneamino]-5-[(4-phenylphenyl)methyl]-1H-pyrazole-4-carboxamide

C24H20N4O2 — CID 152851536

IUPAC3-[(4-hydroxyphenyl)methylideneamino]-5-[(4-phenylphenyl)methyl]-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1c(/N=C/c2ccc(O)cc2)n[nH]c1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H20N4O2/c25-23(30)22-21(27-28-24(22)26-15-17-8-12-20(29)13-9-17)14-16-6-10-19(11-7-16)18-4-2-1-3-5-18/h1-13,15,29H,14H2,(H2,25,30)(H,27,28)/b26-15+
InChIKeyTVLWKMZJRFJRTK-CVKSISIWSA-N
MW396.45 g/mol
LogP4.22
Rot. Bonds6

About 3-[(4-hydroxyphenyl)methylideneamino]-5-[(4-phenylphenyl)methyl]-1H-pyrazole-4-carboxamide

3-[(4-hydroxyphenyl)methylideneamino]-5-[(4-phenylphenyl)methyl]-1H-pyrazole-4-carboxamide (PubChem CID 152851536) has the molecular formula C24H20N4O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is 3-[(4-hydroxyphenyl)methylideneamino]-5-[(4-phenylphenyl)methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-[(4-hydroxyphenyl)methylideneamino]-5-[(4-phenylphenyl)methyl]-1H-pyrazole-4-carboxamide
PubChem CID152851536
Molecular FormulaC24H20N4O2
Molecular Weight396.45 g/mol
Exact Mass396.16
IUPAC Name3-[(4-hydroxyphenyl)methylideneamino]-5-[(4-phenylphenyl)methyl]-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1c(/N=C/c2ccc(O)cc2)n[nH]c1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H20N4O2/c25-23(30)22-21(27-28-24(22)26-15-17-8-12-20(29)13-9-17)14-16-6-10-19(11-7-16)18-4-2-1-3-5-18/h1-13,15,29H,14H2,(H2,25,30)(H,27,28)/b26-15+
InChIKeyTVLWKMZJRFJRTK-CVKSISIWSA-N
XLogP4.22
TPSA104.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 54.22
H-Bond Donors ≤ 53
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 3-[(4-hydroxyphenyl)methylideneamino]-5-[(4-phenylphenyl)methyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-[(4-hydroxyphenyl)methylideneamino]-5-[(4-phenylphenyl)methyl]-1H-pyrazole-4-carboxamide (CID 152851536) is 3-[(4-hydroxyphenyl)methylideneamino]-5-[(4-phenylphenyl)methyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-[(4-hydroxyphenyl)methylideneamino]-5-[(4-phenylphenyl)methyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-[(4-hydroxyphenyl)methylideneamino]-5-[(4-phenylphenyl)methyl]-1H-pyrazole-4-carboxamide is NC(=O)c1c(/N=C/c2ccc(O)cc2)n[nH]c1Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 3-[(4-hydroxyphenyl)methylideneamino]-5-[(4-phenylphenyl)methyl]-1H-pyrazole-4-carboxamide?
The InChIKey is TVLWKMZJRFJRTK-CVKSISIWSA-N. The full InChI is InChI=1S/C24H20N4O2/c25-23(30)22-21(27-28-24(22)26-15-17-8-12-20(29)13-9-17)14-16-6-10-19(11-7-16)18-4-2-1-3-5-18/h1-13,15,29H,14H2,(H2,25,30)(H,27,28)/b26-15+.
What are the key properties of 3-[(4-hydroxyphenyl)methylideneamino]-5-[(4-phenylphenyl)methyl]-1H-pyrazole-4-carboxamide?
3-[(4-hydroxyphenyl)methylideneamino]-5-[(4-phenylphenyl)methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 4.22, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydroxyphenyl)methylideneamino]-5-[(4-phenylphenyl)methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 152851536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).