3-hydrazinyl-2-nitro-N-(1H-pyrazol-4-ylmethyl)benzamide

C11H12N6O3 — CID 115549529

IUPAC3-hydrazinyl-2-nitro-N-(1H-pyrazol-4-ylmethyl)benzamide
SMILESNNc1cccc(C(=O)NCc2cn[nH]c2)c1[N+](=O)[O-]
InChIInChI=1S/C11H12N6O3/c12-16-9-3-1-2-8(10(9)17(19)20)11(18)13-4-7-5-14-15-6-7/h1-3,5-6,16H,4,12H2,(H,13,18)(H,14,15)
InChIKeyOJHQRTNSLJMXLJ-UHFFFAOYSA-N
MW276.26 g/mol
LogP0.53
Rot. Bonds5

About 3-hydrazinyl-2-nitro-N-(1H-pyrazol-4-ylmethyl)benzamide

3-hydrazinyl-2-nitro-N-(1H-pyrazol-4-ylmethyl)benzamide (PubChem CID 115549529) has the molecular formula C11H12N6O3 and a molecular weight of 276.26 g/mol. Its IUPAC name is 3-hydrazinyl-2-nitro-N-(1H-pyrazol-4-ylmethyl)benzamide.

Molecular Properties

Compound Name3-hydrazinyl-2-nitro-N-(1H-pyrazol-4-ylmethyl)benzamide
PubChem CID115549529
Molecular FormulaC11H12N6O3
Molecular Weight276.26 g/mol
Exact Mass276.10
IUPAC Name3-hydrazinyl-2-nitro-N-(1H-pyrazol-4-ylmethyl)benzamide
SMILESNNc1cccc(C(=O)NCc2cn[nH]c2)c1[N+](=O)[O-]
InChIInChI=1S/C11H12N6O3/c12-16-9-3-1-2-8(10(9)17(19)20)11(18)13-4-7-5-14-15-6-7/h1-3,5-6,16H,4,12H2,(H,13,18)(H,14,15)
InChIKeyOJHQRTNSLJMXLJ-UHFFFAOYSA-N
XLogP0.53
TPSA138.97 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 50.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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

N-benzyl-3-hydrazinyl-2-nitrobenzamide
CID 115549377
3-hydrazinyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-nitrobenzamide
CID 115549530
4-hydrazinyl-3-nitro-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 62242235
2-(methylamino)-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 61375925
3-hydrazinyl-2-nitro-N-(2,2,2-trifluoroethyl)benzamide
CID 113333584
3-hydrazinyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-nitrobenzamide
CID 115549495
3-hydrazinyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-nitrobenzamide
CID 115549498
N-(4-amino-4-oxobutyl)-3-hydrazinyl-2-nitrobenzamide
CID 115549371
3-hydroxy-2-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 82829412
3-hydrazinyl-2-nitro-N-(3,3,3-trifluoropropyl)benzamide
CID 115549606
3-hydrazinyl-2-nitro-N-(2-sulfamoylethyl)benzamide
CID 113333609
2-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 60736201

Frequently Asked Questions

What is the IUPAC name of 3-hydrazinyl-2-nitro-N-(1H-pyrazol-4-ylmethyl)benzamide?
The IUPAC name of 3-hydrazinyl-2-nitro-N-(1H-pyrazol-4-ylmethyl)benzamide (CID 115549529) is 3-hydrazinyl-2-nitro-N-(1H-pyrazol-4-ylmethyl)benzamide.
What is the SMILES notation for 3-hydrazinyl-2-nitro-N-(1H-pyrazol-4-ylmethyl)benzamide?
The canonical SMILES for 3-hydrazinyl-2-nitro-N-(1H-pyrazol-4-ylmethyl)benzamide is NNc1cccc(C(=O)NCc2cn[nH]c2)c1[N+](=O)[O-].
What is the InChIKey of 3-hydrazinyl-2-nitro-N-(1H-pyrazol-4-ylmethyl)benzamide?
The InChIKey is OJHQRTNSLJMXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O3/c12-16-9-3-1-2-8(10(9)17(19)20)11(18)13-4-7-5-14-15-6-7/h1-3,5-6,16H,4,12H2,(H,13,18)(H,14,15).
What are the key properties of 3-hydrazinyl-2-nitro-N-(1H-pyrazol-4-ylmethyl)benzamide?
3-hydrazinyl-2-nitro-N-(1H-pyrazol-4-ylmethyl)benzamide has a molecular weight of 276.26 g/mol, XLogP of 0.53, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinyl-2-nitro-N-(1H-pyrazol-4-ylmethyl)benzamide is sourced from PubChem (CID 115549529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).