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

C17H14N4O2 — CID 135446731

IUPACN-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESO=C(N/N=C/c1ccccc1O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C17H14N4O2/c22-16-9-5-4-8-13(16)11-18-21-17(23)15-10-14(19-20-15)12-6-2-1-3-7-12/h1-11,22H,(H,19,20)(H,21,23)/b18-11+
InChIKeyBDZRXAQWEHDNHX-WOJGMQOQSA-N
MW306.33 g/mol
LogP2.55
Rot. Bonds4

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

N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 135446731) has the molecular formula C17H14N4O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID135446731
Molecular FormulaC17H14N4O2
Molecular Weight306.33 g/mol
Exact Mass306.11
IUPAC NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESO=C(N/N=C/c1ccccc1O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C17H14N4O2/c22-16-9-5-4-8-13(16)11-18-21-17(23)15-10-14(19-20-15)12-6-2-1-3-7-12/h1-11,22H,(H,19,20)(H,21,23)/b18-11+
InChIKeyBDZRXAQWEHDNHX-WOJGMQOQSA-N
XLogP2.55
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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

N'-[(2-hydroxynaphthalen-1-yl)methylidene]-3-(naphthalen-2-yl)-1H-pyrazole-5-carbohydrazide
CID 135515522
3-(4-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 135645043
(E)-N'-((2-hydroxynaphthalen-1-yl)methylene)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carbohydrazide
CID 135458722
1-benzyl-N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylpyrazole-5-carboxamide
CID 135951785
N-benzyl-5-(2-hydroxy-3,5-dimethylphenyl)-1H-pyrazole-3-carboxamide
CID 1845769
(5E)-N-benzyl-5-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide
CID 1858274
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-5-(2-hydroxy-5-methylphenyl)-1H-pyrazole-3-carboxamide
CID 1872993
(Z)-N'-(1-(3-hydroxyphenyl)ethylidene)-3-(3-nitrophenyl)-1H-pyrazole-5-carbohydrazide
CID 5920316
3-tert-butyl-N'-(2,4-dihydroxybenzylidene)-1H-pyrazole-5-carbohydrazide
CID 135411687
N'-[1-(2-hydroxyphenyl)ethylidene]-3-(3-nitrophenyl)-1H-pyrazole-5-carbohydrazide
CID 135425009
N'-(5-tert-butyl-2-hydroxybenzylidene)-3-methyl-1H-pyrazole-5-carbohydrazide
CID 135473308
N'-((1E)-{2-hydroxy-5-[(E)-phenyldiazenyl]phenyl}methylene)-3-methyl-1H-pyrazole-5-carbohydrazide
CID 135497974

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide (CID 135446731) is N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide is O=C(N/N=C/c1ccccc1O)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is BDZRXAQWEHDNHX-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H14N4O2/c22-16-9-5-4-8-13(16)11-18-21-17(23)15-10-14(19-20-15)12-6-2-1-3-7-12/h1-11,22H,(H,19,20)(H,21,23)/b18-11+.
What are the key properties of N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide?
N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 306.33 g/mol, XLogP of 2.55, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 135446731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).