N-[3,5-dimethyl-1-(2-nitrophenyl)pyrazol-4-yl]-2-hydroxyacetamide

C13H14N4O4 — CID 142318440

IUPACN-[3,5-dimethyl-1-(2-nitrophenyl)pyrazol-4-yl]-2-hydroxyacetamide
SMILESCc1nn(-c2ccccc2[N+](=O)[O-])c(C)c1NC(=O)CO
InChIInChI=1S/C13H14N4O4/c1-8-13(14-12(19)7-18)9(2)16(15-8)10-5-3-4-6-11(10)17(20)21/h3-6,18H,7H2,1-2H3,(H,14,19)
InChIKeyRNVGXJIUKLFLFX-UHFFFAOYSA-N
MW290.28 g/mol
LogP1.33
Rot. Bonds4

About N-[3,5-dimethyl-1-(2-nitrophenyl)pyrazol-4-yl]-2-hydroxyacetamide

N-[3,5-dimethyl-1-(2-nitrophenyl)pyrazol-4-yl]-2-hydroxyacetamide (PubChem CID 142318440) has the molecular formula C13H14N4O4 and a molecular weight of 290.28 g/mol. Its IUPAC name is N-[3,5-dimethyl-1-(2-nitrophenyl)pyrazol-4-yl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[3,5-dimethyl-1-(2-nitrophenyl)pyrazol-4-yl]-2-hydroxyacetamide
PubChem CID142318440
Molecular FormulaC13H14N4O4
Molecular Weight290.28 g/mol
Exact Mass290.10
IUPAC NameN-[3,5-dimethyl-1-(2-nitrophenyl)pyrazol-4-yl]-2-hydroxyacetamide
SMILESCc1nn(-c2ccccc2[N+](=O)[O-])c(C)c1NC(=O)CO
InChIInChI=1S/C13H14N4O4/c1-8-13(14-12(19)7-18)9(2)16(15-8)10-5-3-4-6-11(10)17(20)21/h3-6,18H,7H2,1-2H3,(H,14,19)
InChIKeyRNVGXJIUKLFLFX-UHFFFAOYSA-N
XLogP1.33
TPSA110.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,5-dimethyl-1-(2-nitrophenyl)pyrazol-4-amine
CID 134405647
ethyl 4,5-dimethyl-2-(2-nitrophenyl)pyrazole-3-carboxylate
CID 70085916
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(2-methyl-3-nitrophenoxy)acetamide
CID 55867965
6-methyl-1-(2-nitrophenyl)-4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyridazine-3-carboxamide
CID 25493933
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(4-nitroimidazol-1-yl)acetamide
CID 39030664
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-methyl-3-nitrobenzamide
CID 51275512
N-(2,3-dimethyl-6-nitrophenyl)-2-hydroxyacetamide
CID 16769548
methyl 5-methyl-2-(2-nitrophenyl)triazole-4-carboxylate
CID 155933269
N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-(2-nitrophenoxy)propanamide
CID 47893047
[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-(2-nitrophenoxy)acetate
CID 7696267
6-methyl-1-(2-nitrophenyl)-4-oxo-N-propylpyridazine-3-carboxamide
CID 27256280
5-chloro-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-nitrobenzamide
CID 16960970

Frequently Asked Questions

What is the IUPAC name of N-[3,5-dimethyl-1-(2-nitrophenyl)pyrazol-4-yl]-2-hydroxyacetamide?
The IUPAC name of N-[3,5-dimethyl-1-(2-nitrophenyl)pyrazol-4-yl]-2-hydroxyacetamide (CID 142318440) is N-[3,5-dimethyl-1-(2-nitrophenyl)pyrazol-4-yl]-2-hydroxyacetamide.
What is the SMILES notation for N-[3,5-dimethyl-1-(2-nitrophenyl)pyrazol-4-yl]-2-hydroxyacetamide?
The canonical SMILES for N-[3,5-dimethyl-1-(2-nitrophenyl)pyrazol-4-yl]-2-hydroxyacetamide is Cc1nn(-c2ccccc2[N+](=O)[O-])c(C)c1NC(=O)CO.
What is the InChIKey of N-[3,5-dimethyl-1-(2-nitrophenyl)pyrazol-4-yl]-2-hydroxyacetamide?
The InChIKey is RNVGXJIUKLFLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O4/c1-8-13(14-12(19)7-18)9(2)16(15-8)10-5-3-4-6-11(10)17(20)21/h3-6,18H,7H2,1-2H3,(H,14,19).
What are the key properties of N-[3,5-dimethyl-1-(2-nitrophenyl)pyrazol-4-yl]-2-hydroxyacetamide?
N-[3,5-dimethyl-1-(2-nitrophenyl)pyrazol-4-yl]-2-hydroxyacetamide has a molecular weight of 290.28 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-dimethyl-1-(2-nitrophenyl)pyrazol-4-yl]-2-hydroxyacetamide is sourced from PubChem (CID 142318440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).