2-hydrazinyl-N-(1-methylpyrazol-3-yl)-3-nitrobenzamide

C11H12N6O3 — CID 113355013

IUPAC2-hydrazinyl-N-(1-methylpyrazol-3-yl)-3-nitrobenzamide
SMILESCn1ccc(NC(=O)c2cccc([N+](=O)[O-])c2NN)n1
InChIInChI=1S/C11H12N6O3/c1-16-6-5-9(15-16)13-11(18)7-3-2-4-8(17(19)20)10(7)14-12/h2-6,14H,12H2,1H3,(H,13,15,18)
InChIKeyCSNZIPCMSXJZJD-UHFFFAOYSA-N
MW276.26 g/mol
LogP0.87
Rot. Bonds4

About 2-hydrazinyl-N-(1-methylpyrazol-3-yl)-3-nitrobenzamide

2-hydrazinyl-N-(1-methylpyrazol-3-yl)-3-nitrobenzamide (PubChem CID 113355013) has the molecular formula C11H12N6O3 and a molecular weight of 276.26 g/mol. Its IUPAC name is 2-hydrazinyl-N-(1-methylpyrazol-3-yl)-3-nitrobenzamide.

Molecular Properties

Compound Name2-hydrazinyl-N-(1-methylpyrazol-3-yl)-3-nitrobenzamide
PubChem CID113355013
Molecular FormulaC11H12N6O3
Molecular Weight276.26 g/mol
Exact Mass276.10
IUPAC Name2-hydrazinyl-N-(1-methylpyrazol-3-yl)-3-nitrobenzamide
SMILESCn1ccc(NC(=O)c2cccc([N+](=O)[O-])c2NN)n1
InChIInChI=1S/C11H12N6O3/c1-16-6-5-9(15-16)13-11(18)7-3-2-4-8(17(19)20)10(7)14-12/h2-6,14H,12H2,1H3,(H,13,15,18)
InChIKeyCSNZIPCMSXJZJD-UHFFFAOYSA-N
XLogP0.87
TPSA128.11 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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-hydrazinyl-3-nitro-N-pyridin-2-ylbenzamide
CID 115937008
N-(5-bromopyrazin-2-yl)-2-hydrazinyl-3-nitrobenzamide
CID 115937226
2-hydrazinyl-3-nitro-N-(thiatriazol-5-yl)benzamide
CID 114914479
N-ethyl-2-hydrazinyl-3-nitrobenzamide
CID 112580670
N-(1-methylpyrazol-3-yl)-2-(2-nitrophenyl)acetamide
CID 16962879
2-hydrazinyl-N-(5-methyl-1,3-thiazol-2-yl)-3-nitrobenzamide
CID 115937021
2-hydrazinyl-N-(1H-imidazol-2-yl)-3-nitrobenzamide
CID 112580702
N-(2-chloro-6-nitrophenyl)-1-methylpyrazol-3-amine
CID 79778291
2-hydrazinyl-N-(3-methylpentan-3-yl)-3-nitrobenzamide
CID 106331395
N-(1-methylpyrazol-3-yl)-5-nitrothiophene-2-carboxamide
CID 16796460
2-[(2-fluorobenzoyl)amino]-3-methyl-N-(1-methylpyrazol-3-yl)benzamide
CID 71938716
2-(methylamino)-N-(1-methylpyrazol-3-yl)-5-nitrobenzamide
CID 16962880

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-(1-methylpyrazol-3-yl)-3-nitrobenzamide?
The IUPAC name of 2-hydrazinyl-N-(1-methylpyrazol-3-yl)-3-nitrobenzamide (CID 113355013) is 2-hydrazinyl-N-(1-methylpyrazol-3-yl)-3-nitrobenzamide.
What is the SMILES notation for 2-hydrazinyl-N-(1-methylpyrazol-3-yl)-3-nitrobenzamide?
The canonical SMILES for 2-hydrazinyl-N-(1-methylpyrazol-3-yl)-3-nitrobenzamide is Cn1ccc(NC(=O)c2cccc([N+](=O)[O-])c2NN)n1.
What is the InChIKey of 2-hydrazinyl-N-(1-methylpyrazol-3-yl)-3-nitrobenzamide?
The InChIKey is CSNZIPCMSXJZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O3/c1-16-6-5-9(15-16)13-11(18)7-3-2-4-8(17(19)20)10(7)14-12/h2-6,14H,12H2,1H3,(H,13,15,18).
What are the key properties of 2-hydrazinyl-N-(1-methylpyrazol-3-yl)-3-nitrobenzamide?
2-hydrazinyl-N-(1-methylpyrazol-3-yl)-3-nitrobenzamide has a molecular weight of 276.26 g/mol, XLogP of 0.87, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-(1-methylpyrazol-3-yl)-3-nitrobenzamide is sourced from PubChem (CID 113355013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).