N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide

C13H14N4O2 — CID 135473318

IUPACN-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
SMILESC/C(=N\NC(=O)c1cc(C)[nH]n1)c1ccccc1O
InChIInChI=1S/C13H14N4O2/c1-8-7-11(16-14-8)13(19)17-15-9(2)10-5-3-4-6-12(10)18/h3-7,18H,1-2H3,(H,14,16)(H,17,19)/b15-9+
InChIKeyYYGNLEAKGXYTOQ-OQLLNIDSSA-N
MW258.28 g/mol
LogP1.58
Rot. Bonds3

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

N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 135473318) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID135473318
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC NameN-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
SMILESC/C(=N\NC(=O)c1cc(C)[nH]n1)c1ccccc1O
InChIInChI=1S/C13H14N4O2/c1-8-7-11(16-14-8)13(19)17-15-9(2)10-5-3-4-6-12(10)18/h3-7,18H,1-2H3,(H,14,16)(H,17,19)/b15-9+
InChIKeyYYGNLEAKGXYTOQ-OQLLNIDSSA-N
XLogP1.58
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.58
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

3-(2-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
CID 760982
3-(4-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 135645043
N'-[(4-methoxyphenyl)acetyl]-3-methyl-1H-pyrazole-5-carbohydrazide
CID 833279
5-(4-Methoxyphenyl)-1H-pyrazole-3-carboxylic acid hydrazide
CID 801126
(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
N'-[(E)-(2-hydroxy-3-nitrophenyl)methylidene]-3-methyl-1H-pyrazole-5-carbohydrazide
CID 135521412
N'-[(Z)-(3,5-DI-Tert-butyl-4-hydroxyphenyl)methylidene]-3-methyl-1H-pyrazole-5-carbohydrazide
CID 135693595
N-[2-(1-cyclohexen-1-yl)ethyl]-3-(4-hydroxyphenyl)-1H-pyrazole-5-carboxamide
CID 136227368

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide (CID 135473318) is N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide is C/C(=N\NC(=O)c1cc(C)[nH]n1)c1ccccc1O.
What is the InChIKey of N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is YYGNLEAKGXYTOQ-OQLLNIDSSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-8-7-11(16-14-8)13(19)17-15-9(2)10-5-3-4-6-12(10)18/h3-7,18H,1-2H3,(H,14,16)(H,17,19)/b15-9+.
What are the key properties of N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide?
N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 258.28 g/mol, XLogP of 1.58, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 135473318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).