2-amino-N-(2-methylpyrazol-3-yl)-3-nitrobenzamide

C11H11N5O3 — CID 112696742

IUPAC2-amino-N-(2-methylpyrazol-3-yl)-3-nitrobenzamide
SMILESCn1nccc1NC(=O)c1cccc([N+](=O)[O-])c1N
InChIInChI=1S/C11H11N5O3/c1-15-9(5-6-13-15)14-11(17)7-3-2-4-8(10(7)12)16(18)19/h2-6H,12H2,1H3,(H,14,17)
InChIKeyREPNKEJSTLMICB-UHFFFAOYSA-N
MW261.24 g/mol
LogP1.16
Rot. Bonds3

About 2-amino-N-(2-methylpyrazol-3-yl)-3-nitrobenzamide

2-amino-N-(2-methylpyrazol-3-yl)-3-nitrobenzamide (PubChem CID 112696742) has the molecular formula C11H11N5O3 and a molecular weight of 261.24 g/mol. Its IUPAC name is 2-amino-N-(2-methylpyrazol-3-yl)-3-nitrobenzamide.

Molecular Properties

Compound Name2-amino-N-(2-methylpyrazol-3-yl)-3-nitrobenzamide
PubChem CID112696742
Molecular FormulaC11H11N5O3
Molecular Weight261.24 g/mol
Exact Mass261.09
IUPAC Name2-amino-N-(2-methylpyrazol-3-yl)-3-nitrobenzamide
SMILESCn1nccc1NC(=O)c1cccc([N+](=O)[O-])c1N
InChIInChI=1S/C11H11N5O3/c1-15-9(5-6-13-15)14-11(17)7-3-2-4-8(10(7)12)16(18)19/h2-6H,12H2,1H3,(H,14,17)
InChIKeyREPNKEJSTLMICB-UHFFFAOYSA-N
XLogP1.16
TPSA116.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(2-methylpyrazol-3-yl)-3-nitrobenzamide
CID 112576364
2-amino-4-fluoro-N-(2-methylpyrazol-3-yl)-5-nitrobenzamide
CID 99801874
3-(methylamino)-N-(2-methylpyrazol-3-yl)-2-nitrobenzamide
CID 115548768
2-amino-N-(2-methylpyrazol-3-yl)-5-nitrobenzamide
CID 62161256
2-amino-N-(1,3-dimethylpyrazol-4-yl)-3-nitrobenzamide
CID 103733966
2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-nitrobenzamide
CID 103910051
2-methyl-N-(2-methylpyrazol-3-yl)benzamide
CID 66675219
2-bromo-3-methyl-N-(2-methylpyrazol-3-yl)benzamide
CID 103853900
2-amino-N-(2-chlorophenyl)-3-nitrobenzamide
CID 115677618
2-amino-N-(3-chlorophenyl)-3-nitrobenzamide
CID 115677622
2-methyl-3-nitro-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide
CID 17409979
2-methyl-N-(2-nitrophenyl)pyrazol-3-amine
CID 142742599

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-methylpyrazol-3-yl)-3-nitrobenzamide?
The IUPAC name of 2-amino-N-(2-methylpyrazol-3-yl)-3-nitrobenzamide (CID 112696742) is 2-amino-N-(2-methylpyrazol-3-yl)-3-nitrobenzamide.
What is the SMILES notation for 2-amino-N-(2-methylpyrazol-3-yl)-3-nitrobenzamide?
The canonical SMILES for 2-amino-N-(2-methylpyrazol-3-yl)-3-nitrobenzamide is Cn1nccc1NC(=O)c1cccc([N+](=O)[O-])c1N.
What is the InChIKey of 2-amino-N-(2-methylpyrazol-3-yl)-3-nitrobenzamide?
The InChIKey is REPNKEJSTLMICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O3/c1-15-9(5-6-13-15)14-11(17)7-3-2-4-8(10(7)12)16(18)19/h2-6H,12H2,1H3,(H,14,17).
What are the key properties of 2-amino-N-(2-methylpyrazol-3-yl)-3-nitrobenzamide?
2-amino-N-(2-methylpyrazol-3-yl)-3-nitrobenzamide has a molecular weight of 261.24 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-methylpyrazol-3-yl)-3-nitrobenzamide is sourced from PubChem (CID 112696742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).