2-(methylamino)-N-(1-methylpyrazol-3-yl)-5-nitrobenzamide

C12H13N5O3 — CID 16962880

IUPAC2-(methylamino)-N-(1-methylpyrazol-3-yl)-5-nitrobenzamide
SMILESCNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccn(C)n1
InChIInChI=1S/C12H13N5O3/c1-13-10-4-3-8(17(19)20)7-9(10)12(18)14-11-5-6-16(2)15-11/h3-7,13H,1-2H3,(H,14,15,18)
InChIKeyGMGUNNFHQTXYOV-UHFFFAOYSA-N
MW275.27 g/mol
LogP1.62
Rot. Bonds4

About 2-(methylamino)-N-(1-methylpyrazol-3-yl)-5-nitrobenzamide

2-(methylamino)-N-(1-methylpyrazol-3-yl)-5-nitrobenzamide (PubChem CID 16962880) has the molecular formula C12H13N5O3 and a molecular weight of 275.27 g/mol. Its IUPAC name is 2-(methylamino)-N-(1-methylpyrazol-3-yl)-5-nitrobenzamide.

Molecular Properties

Compound Name2-(methylamino)-N-(1-methylpyrazol-3-yl)-5-nitrobenzamide
PubChem CID16962880
Molecular FormulaC12H13N5O3
Molecular Weight275.27 g/mol
Exact Mass275.10
IUPAC Name2-(methylamino)-N-(1-methylpyrazol-3-yl)-5-nitrobenzamide
SMILESCNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccn(C)n1
InChIInChI=1S/C12H13N5O3/c1-13-10-4-3-8(17(19)20)7-9(10)12(18)14-11-5-6-16(2)15-11/h3-7,13H,1-2H3,(H,14,15,18)
InChIKeyGMGUNNFHQTXYOV-UHFFFAOYSA-N
XLogP1.62
TPSA102.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 51.62
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'}

Analyze 2-(methylamino)-N-(1-methylpyrazol-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

2-[(1-methylpyrazol-3-yl)amino]-5-nitrobenzoic acid
CID 78913493
4-(methylamino)-N-(1-methylpyrazol-3-yl)pyridine-3-carboxamide
CID 81243181
N-(3,5-dimethylphenyl)-2-(methylamino)-5-nitrobenzamide
CID 24531986
2-(methylamino)-5-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 29369991
N-(2,5-dimethylphenyl)-2-(methylamino)-5-nitrobenzamide
CID 16962982
2-chloro-N-[(2R)-3-methyl-1-[(1-methylpyrazol-3-yl)amino]-1-oxobutan-2-yl]-4-nitrobenzamide
CID 31845013
N-(2-iodo-4-nitrophenyl)-1-methylpyrazol-3-amine
CID 79779397
N-(2-chloro-4-methylphenyl)-2-(methylamino)-5-nitrobenzamide
CID 16963066
N-(4-methoxyphenyl)-2-(methylamino)-5-nitrobenzamide
CID 4296283
N-(4-chloro-2-methylphenyl)-2-(methylamino)-5-nitrobenzamide
CID 16963040
2-(methylamino)-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-5-nitrobenzamide
CID 56555778
N-(1-amino-1-oxopropan-2-yl)-2-(methylamino)-5-nitrobenzamide
CID 60698893

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-(1-methylpyrazol-3-yl)-5-nitrobenzamide?
The IUPAC name of 2-(methylamino)-N-(1-methylpyrazol-3-yl)-5-nitrobenzamide (CID 16962880) is 2-(methylamino)-N-(1-methylpyrazol-3-yl)-5-nitrobenzamide.
What is the SMILES notation for 2-(methylamino)-N-(1-methylpyrazol-3-yl)-5-nitrobenzamide?
The canonical SMILES for 2-(methylamino)-N-(1-methylpyrazol-3-yl)-5-nitrobenzamide is CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccn(C)n1.
What is the InChIKey of 2-(methylamino)-N-(1-methylpyrazol-3-yl)-5-nitrobenzamide?
The InChIKey is GMGUNNFHQTXYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O3/c1-13-10-4-3-8(17(19)20)7-9(10)12(18)14-11-5-6-16(2)15-11/h3-7,13H,1-2H3,(H,14,15,18).
What are the key properties of 2-(methylamino)-N-(1-methylpyrazol-3-yl)-5-nitrobenzamide?
2-(methylamino)-N-(1-methylpyrazol-3-yl)-5-nitrobenzamide has a molecular weight of 275.27 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-(1-methylpyrazol-3-yl)-5-nitrobenzamide is sourced from PubChem (CID 16962880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).