N-[(E)-(2-hydroxy-3-methyl-5-nitrophenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide

C13H13N5O4 — CID 135497998

IUPACN-[(E)-(2-hydroxy-3-methyl-5-nitrophenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N/N=C/c2cc([N+](=O)[O-])cc(C)c2O)n[nH]1
InChIInChI=1S/C13H13N5O4/c1-7-3-10(18(21)22)5-9(12(7)19)6-14-17-13(20)11-4-8(2)15-16-11/h3-6,19H,1-2H3,(H,15,16)(H,17,20)/b14-6+
InChIKeyAYMCYGLDHHRKGY-MKMNVTDBSA-N
MW303.28 g/mol
LogP1.40
Rot. Bonds4

About N-[(E)-(2-hydroxy-3-methyl-5-nitrophenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide

N-[(E)-(2-hydroxy-3-methyl-5-nitrophenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 135497998) has the molecular formula C13H13N5O4 and a molecular weight of 303.28 g/mol. Its IUPAC name is N-[(E)-(2-hydroxy-3-methyl-5-nitrophenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxy-3-methyl-5-nitrophenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID135497998
Molecular FormulaC13H13N5O4
Molecular Weight303.28 g/mol
Exact Mass303.10
IUPAC NameN-[(E)-(2-hydroxy-3-methyl-5-nitrophenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N/N=C/c2cc([N+](=O)[O-])cc(C)c2O)n[nH]1
InChIInChI=1S/C13H13N5O4/c1-7-3-10(18(21)22)5-9(12(7)19)6-14-17-13(20)11-4-8(2)15-16-11/h3-6,19H,1-2H3,(H,15,16)(H,17,20)/b14-6+
InChIKeyAYMCYGLDHHRKGY-MKMNVTDBSA-N
XLogP1.40
TPSA133.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-(2-hydroxy-3-methyl-5-nitrophenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

(Z)-N'-(1-(3-hydroxyphenyl)ethylidene)-3-(3-nitrophenyl)-1H-pyrazole-5-carbohydrazide
CID 5920316
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'-[(E)-(4-hydroxy-3-nitrophenyl)methylidene]-3-methyl-1H-pyrazole-5-carbohydrazide
CID 135521505
N'-[(Z)-(3,5-DI-Tert-butyl-4-hydroxyphenyl)methylidene]-3-methyl-1H-pyrazole-5-carbohydrazide
CID 135693595
N'-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylidene]-3-methyl-1H-pyrazole-5-carbohydrazide
CID 135473306
(E)-N'-(3-allyl-2-hydroxybenzylidene)-3-(tert-butyl)-1H-pyrazole-5-carbohydrazide
CID 135411689
N'-(5-Bromo-2-hydroxybenzylidene)-3-(3-nitrophenyl)-1H-pyrazole-5-carbohydrazide
CID 86261447
N'-(2-Hydroxybenzylidene)-3-(3-nitrophenyl)-1H-pyrazole-5-carbohydrazide
CID 135554351
N'-[(E)-(2-hydroxynaphthalen-1-yl)methylidene]-3-(3-nitrophenyl)-1H-pyrazole-5-carbohydrazide
CID 86261449

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxy-3-methyl-5-nitrophenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(E)-(2-hydroxy-3-methyl-5-nitrophenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide (CID 135497998) is N-[(E)-(2-hydroxy-3-methyl-5-nitrophenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(E)-(2-hydroxy-3-methyl-5-nitrophenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(E)-(2-hydroxy-3-methyl-5-nitrophenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide is Cc1cc(C(=O)N/N=C/c2cc([N+](=O)[O-])cc(C)c2O)n[nH]1.
What is the InChIKey of N-[(E)-(2-hydroxy-3-methyl-5-nitrophenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is AYMCYGLDHHRKGY-MKMNVTDBSA-N. The full InChI is InChI=1S/C13H13N5O4/c1-7-3-10(18(21)22)5-9(12(7)19)6-14-17-13(20)11-4-8(2)15-16-11/h3-6,19H,1-2H3,(H,15,16)(H,17,20)/b14-6+.
What are the key properties of N-[(E)-(2-hydroxy-3-methyl-5-nitrophenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide?
N-[(E)-(2-hydroxy-3-methyl-5-nitrophenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 303.28 g/mol, XLogP of 1.40, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxy-3-methyl-5-nitrophenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 135497998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).