3-methyl-N-(5-methyl-1H-pyrazol-3-yl)-5-nitrobenzamide

C12H12N4O3 — CID 47429652

IUPAC3-methyl-N-(5-methyl-1H-pyrazol-3-yl)-5-nitrobenzamide
SMILESCc1cc(C(=O)Nc2cc(C)[nH]n2)cc([N+](=O)[O-])c1
InChIInChI=1S/C12H12N4O3/c1-7-3-9(6-10(4-7)16(18)19)12(17)13-11-5-8(2)14-15-11/h3-6H,1-2H3,(H2,13,14,15,17)
InChIKeyDDHLFOHQFMCYDM-UHFFFAOYSA-N
MW260.25 g/mol
LogP2.19
Rot. Bonds3

About 3-methyl-N-(5-methyl-1H-pyrazol-3-yl)-5-nitrobenzamide

3-methyl-N-(5-methyl-1H-pyrazol-3-yl)-5-nitrobenzamide (PubChem CID 47429652) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is 3-methyl-N-(5-methyl-1H-pyrazol-3-yl)-5-nitrobenzamide.

Molecular Properties

Compound Name3-methyl-N-(5-methyl-1H-pyrazol-3-yl)-5-nitrobenzamide
PubChem CID47429652
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC Name3-methyl-N-(5-methyl-1H-pyrazol-3-yl)-5-nitrobenzamide
SMILESCc1cc(C(=O)Nc2cc(C)[nH]n2)cc([N+](=O)[O-])c1
InChIInChI=1S/C12H12N4O3/c1-7-3-9(6-10(4-7)16(18)19)12(17)13-11-5-8(2)14-15-11/h3-6H,1-2H3,(H2,13,14,15,17)
InChIKeyDDHLFOHQFMCYDM-UHFFFAOYSA-N
XLogP2.19
TPSA100.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-methyl-N-(5-methyl-1H-pyrazol-3-yl)-5-nitrobenzamide 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

N-(5-ethyl-1H-pyrazol-3-yl)-3-methyl-5-nitrobenzamide
CID 47429735
2-fluoro-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)-5-nitrobenzamide
CID 107261812
3-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-5-nitrobenzamide
CID 115640654
N-(5-bromo-4-methyl-2-pyridinyl)-3-methyl-5-nitrobenzamide
CID 115681603
3-bromo-5-nitro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 115744337
2-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-5-nitrobenzamide
CID 63818883
5-nitro-1-N,3-N-dipyridin-2-ylbenzene-1,3-dicarboxamide
CID 3383086
3-fluoro-5-methyl-N-(5-nitro-2-pyridinyl)benzamide
CID 162519913
3-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-nitrobenzamide
CID 78995321
N-(4-methylphenyl)-3,5-dinitrobenzamide
CID 3094563
(5-methyl-1H-pyrazol-3-yl)carbamic acid
CID 23091960
N-(azetidin-3-yl)-3-methyl-5-nitrobenzamide
CID 112701331

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(5-methyl-1H-pyrazol-3-yl)-5-nitrobenzamide?
The IUPAC name of 3-methyl-N-(5-methyl-1H-pyrazol-3-yl)-5-nitrobenzamide (CID 47429652) is 3-methyl-N-(5-methyl-1H-pyrazol-3-yl)-5-nitrobenzamide.
What is the SMILES notation for 3-methyl-N-(5-methyl-1H-pyrazol-3-yl)-5-nitrobenzamide?
The canonical SMILES for 3-methyl-N-(5-methyl-1H-pyrazol-3-yl)-5-nitrobenzamide is Cc1cc(C(=O)Nc2cc(C)[nH]n2)cc([N+](=O)[O-])c1.
What is the InChIKey of 3-methyl-N-(5-methyl-1H-pyrazol-3-yl)-5-nitrobenzamide?
The InChIKey is DDHLFOHQFMCYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3/c1-7-3-9(6-10(4-7)16(18)19)12(17)13-11-5-8(2)14-15-11/h3-6H,1-2H3,(H2,13,14,15,17).
What are the key properties of 3-methyl-N-(5-methyl-1H-pyrazol-3-yl)-5-nitrobenzamide?
3-methyl-N-(5-methyl-1H-pyrazol-3-yl)-5-nitrobenzamide has a molecular weight of 260.25 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(5-methyl-1H-pyrazol-3-yl)-5-nitrobenzamide is sourced from PubChem (CID 47429652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).