N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide

C17H14N4O3 — CID 135489114

IUPACN-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESO=C(N/N=C/c1ccc(O)cc1O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C17H14N4O3/c22-13-7-6-12(16(23)8-13)10-18-21-17(24)15-9-14(19-20-15)11-4-2-1-3-5-11/h1-10,22-23H,(H,19,20)(H,21,24)/b18-10+
InChIKeyWIHCFAHHVZLVRU-VCHYOVAHSA-N
MW322.32 g/mol
LogP2.25
Rot. Bonds4

About N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide

N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 135489114) has the molecular formula C17H14N4O3 and a molecular weight of 322.32 g/mol. Its IUPAC name is N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID135489114
Molecular FormulaC17H14N4O3
Molecular Weight322.32 g/mol
Exact Mass322.11
IUPAC NameN-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESO=C(N/N=C/c1ccc(O)cc1O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C17H14N4O3/c22-13-7-6-12(16(23)8-13)10-18-21-17(24)15-9-14(19-20-15)11-4-2-1-3-5-11/h1-10,22-23H,(H,19,20)(H,21,24)/b18-10+
InChIKeyWIHCFAHHVZLVRU-VCHYOVAHSA-N
XLogP2.25
TPSA110.60 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 52.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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'}

Analyze N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide (CID 135489114) is N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide is O=C(N/N=C/c1ccc(O)cc1O)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is WIHCFAHHVZLVRU-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H14N4O3/c22-13-7-6-12(16(23)8-13)10-18-21-17(24)15-9-14(19-20-15)11-4-2-1-3-5-11/h1-10,22-23H,(H,19,20)(H,21,24)/b18-10+.
What are the key properties of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide?
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 322.32 g/mol, XLogP of 2.25, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 135489114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).