3-hydrazinyl-N-[(1-methylpyrazol-3-yl)methyl]-4-nitrobenzamide

C12H14N6O3 — CID 82873539

IUPAC3-hydrazinyl-N-[(1-methylpyrazol-3-yl)methyl]-4-nitrobenzamide
SMILESCn1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(NN)c2)n1
InChIInChI=1S/C12H14N6O3/c1-17-5-4-9(16-17)7-14-12(19)8-2-3-11(18(20)21)10(6-8)15-13/h2-6,15H,7,13H2,1H3,(H,14,19)
InChIKeyVZPSWNKJSHXODR-UHFFFAOYSA-N
MW290.28 g/mol
LogP0.54
Rot. Bonds5

About 3-hydrazinyl-N-[(1-methylpyrazol-3-yl)methyl]-4-nitrobenzamide

3-hydrazinyl-N-[(1-methylpyrazol-3-yl)methyl]-4-nitrobenzamide (PubChem CID 82873539) has the molecular formula C12H14N6O3 and a molecular weight of 290.28 g/mol. Its IUPAC name is 3-hydrazinyl-N-[(1-methylpyrazol-3-yl)methyl]-4-nitrobenzamide.

Molecular Properties

Compound Name3-hydrazinyl-N-[(1-methylpyrazol-3-yl)methyl]-4-nitrobenzamide
PubChem CID82873539
Molecular FormulaC12H14N6O3
Molecular Weight290.28 g/mol
Exact Mass290.11
IUPAC Name3-hydrazinyl-N-[(1-methylpyrazol-3-yl)methyl]-4-nitrobenzamide
SMILESCn1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(NN)c2)n1
InChIInChI=1S/C12H14N6O3/c1-17-5-4-9(16-17)7-14-12(19)8-2-3-11(18(20)21)10(6-8)15-13/h2-6,15H,7,13H2,1H3,(H,14,19)
InChIKeyVZPSWNKJSHXODR-UHFFFAOYSA-N
XLogP0.54
TPSA128.11 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 50.54
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

4-hydrazinyl-N-[(1-methylpyrazol-3-yl)methyl]-3-nitrobenzamide
CID 82873656
4-methyl-N-[(1-methylpyrazol-3-yl)methyl]-3-nitrobenzamide
CID 19329175
4-methoxy-N-[(1-methylpyrazol-3-yl)methyl]-3-nitrobenzamide
CID 19329216
3-amino-4-bromo-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 82882800
2-amino-5-fluoro-N-[(1-methylpyrazol-3-yl)methyl]-3-nitrobenzamide
CID 103877691
3-hydrazinyl-4-nitro-N-(2-pyrazol-1-ylethyl)benzamide
CID 62682526
3,4-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19330914
N-[2-(diethylamino)ethyl]-3-hydrazinyl-4-nitrobenzamide
CID 62682518
4-hydrazinyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-nitrobenzamide
CID 62237359
5-methyl-N-[(1-methylpyrazol-3-yl)methyl]-2-nitroaniline
CID 82873278
N-(cyclopropylmethyl)-3-hydrazinyl-4-nitrobenzamide
CID 62682327
N-[(1-methylpyrazol-3-yl)methyl]-5-nitro-1H-pyrazole-3-carboxamide
CID 135577428

Frequently Asked Questions

What is the IUPAC name of 3-hydrazinyl-N-[(1-methylpyrazol-3-yl)methyl]-4-nitrobenzamide?
The IUPAC name of 3-hydrazinyl-N-[(1-methylpyrazol-3-yl)methyl]-4-nitrobenzamide (CID 82873539) is 3-hydrazinyl-N-[(1-methylpyrazol-3-yl)methyl]-4-nitrobenzamide.
What is the SMILES notation for 3-hydrazinyl-N-[(1-methylpyrazol-3-yl)methyl]-4-nitrobenzamide?
The canonical SMILES for 3-hydrazinyl-N-[(1-methylpyrazol-3-yl)methyl]-4-nitrobenzamide is Cn1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(NN)c2)n1.
What is the InChIKey of 3-hydrazinyl-N-[(1-methylpyrazol-3-yl)methyl]-4-nitrobenzamide?
The InChIKey is VZPSWNKJSHXODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O3/c1-17-5-4-9(16-17)7-14-12(19)8-2-3-11(18(20)21)10(6-8)15-13/h2-6,15H,7,13H2,1H3,(H,14,19).
What are the key properties of 3-hydrazinyl-N-[(1-methylpyrazol-3-yl)methyl]-4-nitrobenzamide?
3-hydrazinyl-N-[(1-methylpyrazol-3-yl)methyl]-4-nitrobenzamide has a molecular weight of 290.28 g/mol, XLogP of 0.54, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinyl-N-[(1-methylpyrazol-3-yl)methyl]-4-nitrobenzamide is sourced from PubChem (CID 82873539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).