2-amino-N-(2-methylpyrazol-3-yl)-5-nitrobenzamide

C11H11N5O3 — CID 62161256

IUPAC2-amino-N-(2-methylpyrazol-3-yl)-5-nitrobenzamide
SMILESCn1nccc1NC(=O)c1cc([N+](=O)[O-])ccc1N
InChIInChI=1S/C11H11N5O3/c1-15-10(4-5-13-15)14-11(17)8-6-7(16(18)19)2-3-9(8)12/h2-6H,12H2,1H3,(H,14,17)
InChIKeyNLRODNNNBFXUDL-UHFFFAOYSA-N
MW261.24 g/mol
LogP1.16
Rot. Bonds3

About 2-amino-N-(2-methylpyrazol-3-yl)-5-nitrobenzamide

2-amino-N-(2-methylpyrazol-3-yl)-5-nitrobenzamide (PubChem CID 62161256) 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)-5-nitrobenzamide.

Molecular Properties

Compound Name2-amino-N-(2-methylpyrazol-3-yl)-5-nitrobenzamide
PubChem CID62161256
Molecular FormulaC11H11N5O3
Molecular Weight261.24 g/mol
Exact Mass261.09
IUPAC Name2-amino-N-(2-methylpyrazol-3-yl)-5-nitrobenzamide
SMILESCn1nccc1NC(=O)c1cc([N+](=O)[O-])ccc1N
InChIInChI=1S/C11H11N5O3/c1-15-10(4-5-13-15)14-11(17)8-6-7(16(18)19)2-3-9(8)12/h2-6H,12H2,1H3,(H,14,17)
InChIKeyNLRODNNNBFXUDL-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-amino-4-fluoro-N-(2-methylpyrazol-3-yl)-5-nitrobenzamide
CID 99801874
2-amino-N-(2-methylpyrazol-3-yl)-3-nitrobenzamide
CID 112696742
2-fluoro-5-nitro-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 43377509
2-chloro-N-(2-methylpyrazol-3-yl)-3-nitrobenzamide
CID 112576364
3-(methylamino)-N-(2-methylpyrazol-3-yl)-2-nitrobenzamide
CID 115548768
2-amino-5-nitro-N-(1,2-oxazol-3-yl)benzamide
CID 62902190
2-amino-N-(3-methyl-2-pyridinyl)-5-nitrobenzamide
CID 62059685
2-amino-N-(5-methyl-3-pyridinyl)-5-nitrobenzamide
CID 102977040
2-bromo-N-[(2-methylpyrazol-3-yl)methyl]-5-nitrobenzamide
CID 63302524
2-amino-N-(3,5-dichlorophenyl)-5-nitrobenzamide
CID 62152532
2-amino-N-(5-bromo-2-pyridinyl)-5-nitrobenzamide
CID 62155081
2-chloro-N-[(2-methylpyrazol-3-yl)methyl]-5-nitrobenzamide
CID 63302246

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-methylpyrazol-3-yl)-5-nitrobenzamide?
The IUPAC name of 2-amino-N-(2-methylpyrazol-3-yl)-5-nitrobenzamide (CID 62161256) is 2-amino-N-(2-methylpyrazol-3-yl)-5-nitrobenzamide.
What is the SMILES notation for 2-amino-N-(2-methylpyrazol-3-yl)-5-nitrobenzamide?
The canonical SMILES for 2-amino-N-(2-methylpyrazol-3-yl)-5-nitrobenzamide is Cn1nccc1NC(=O)c1cc([N+](=O)[O-])ccc1N.
What is the InChIKey of 2-amino-N-(2-methylpyrazol-3-yl)-5-nitrobenzamide?
The InChIKey is NLRODNNNBFXUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O3/c1-15-10(4-5-13-15)14-11(17)8-6-7(16(18)19)2-3-9(8)12/h2-6H,12H2,1H3,(H,14,17).
What are the key properties of 2-amino-N-(2-methylpyrazol-3-yl)-5-nitrobenzamide?
2-amino-N-(2-methylpyrazol-3-yl)-5-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)-5-nitrobenzamide is sourced from PubChem (CID 62161256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).