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

C11H12N6O3 — CID 62242235

IUPAC4-hydrazinyl-3-nitro-N-(1H-pyrazol-4-ylmethyl)benzamide
SMILESNNc1ccc(C(=O)NCc2cn[nH]c2)cc1[N+](=O)[O-]
InChIInChI=1S/C11H12N6O3/c12-16-9-2-1-8(3-10(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)
InChIKeyOKSUDLRJRDENTE-UHFFFAOYSA-N
MW276.26 g/mol
LogP0.53
Rot. Bonds5

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

4-hydrazinyl-3-nitro-N-(1H-pyrazol-4-ylmethyl)benzamide (PubChem CID 62242235) has the molecular formula C11H12N6O3 and a molecular weight of 276.26 g/mol. Its IUPAC name is 4-hydrazinyl-3-nitro-N-(1H-pyrazol-4-ylmethyl)benzamide.

Molecular Properties

Compound Name4-hydrazinyl-3-nitro-N-(1H-pyrazol-4-ylmethyl)benzamide
PubChem CID62242235
Molecular FormulaC11H12N6O3
Molecular Weight276.26 g/mol
Exact Mass276.10
IUPAC Name4-hydrazinyl-3-nitro-N-(1H-pyrazol-4-ylmethyl)benzamide
SMILESNNc1ccc(C(=O)NCc2cn[nH]c2)cc1[N+](=O)[O-]
InChIInChI=1S/C11H12N6O3/c12-16-9-2-1-8(3-10(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)
InChIKeyOKSUDLRJRDENTE-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-ethyl-3-nitro-4-(1H-pyrazol-4-ylmethylamino)benzamide
CID 82991748
3-hydrazinyl-2-nitro-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 115549529
4-hydrazinyl-3-nitro-N-propylbenzamide
CID 62237139
4-hydrazinyl-N-[(1-methylpyrazol-3-yl)methyl]-3-nitrobenzamide
CID 82873656
4-hydrazinyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-nitrobenzamide
CID 62237359
N-(cyclobutylmethyl)-4-hydrazinyl-3-nitrobenzamide
CID 62242655
4-hydrazinyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-nitrobenzamide
CID 106409218
4-carbamothioyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 54982080
3-nitro-4-(1H-pyrazole-4-carbonylamino)benzoic acid
CID 60846126
N-[(2-nitrophenyl)methyl]-1H-pyrazole-4-carboxamide
CID 60979424
4-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 60736168
N-[(4-fluorophenyl)methyl]-4-(methylamino)-3-nitrobenzamide
CID 7406793

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-3-nitro-N-(1H-pyrazol-4-ylmethyl)benzamide?
The IUPAC name of 4-hydrazinyl-3-nitro-N-(1H-pyrazol-4-ylmethyl)benzamide (CID 62242235) is 4-hydrazinyl-3-nitro-N-(1H-pyrazol-4-ylmethyl)benzamide.
What is the SMILES notation for 4-hydrazinyl-3-nitro-N-(1H-pyrazol-4-ylmethyl)benzamide?
The canonical SMILES for 4-hydrazinyl-3-nitro-N-(1H-pyrazol-4-ylmethyl)benzamide is NNc1ccc(C(=O)NCc2cn[nH]c2)cc1[N+](=O)[O-].
What is the InChIKey of 4-hydrazinyl-3-nitro-N-(1H-pyrazol-4-ylmethyl)benzamide?
The InChIKey is OKSUDLRJRDENTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O3/c12-16-9-2-1-8(3-10(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 4-hydrazinyl-3-nitro-N-(1H-pyrazol-4-ylmethyl)benzamide?
4-hydrazinyl-3-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 4-hydrazinyl-3-nitro-N-(1H-pyrazol-4-ylmethyl)benzamide is sourced from PubChem (CID 62242235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).