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

C12H14N6O3 — CID 62682526

IUPAC3-hydrazinyl-4-nitro-N-(2-pyrazol-1-ylethyl)benzamide
SMILESNNc1cc(C(=O)NCCn2cccn2)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H14N6O3/c13-16-10-8-9(2-3-11(10)18(20)21)12(19)14-5-7-17-6-1-4-15-17/h1-4,6,8,16H,5,7,13H2,(H,14,19)
InChIKeyUPQAKWGWQYCGMR-UHFFFAOYSA-N
MW290.28 g/mol
LogP0.51
Rot. Bonds6

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

3-hydrazinyl-4-nitro-N-(2-pyrazol-1-ylethyl)benzamide (PubChem CID 62682526) has the molecular formula C12H14N6O3 and a molecular weight of 290.28 g/mol. Its IUPAC name is 3-hydrazinyl-4-nitro-N-(2-pyrazol-1-ylethyl)benzamide.

Molecular Properties

Compound Name3-hydrazinyl-4-nitro-N-(2-pyrazol-1-ylethyl)benzamide
PubChem CID62682526
Molecular FormulaC12H14N6O3
Molecular Weight290.28 g/mol
Exact Mass290.11
IUPAC Name3-hydrazinyl-4-nitro-N-(2-pyrazol-1-ylethyl)benzamide
SMILESNNc1cc(C(=O)NCCn2cccn2)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H14N6O3/c13-16-10-8-9(2-3-11(10)18(20)21)12(19)14-5-7-17-6-1-4-15-17/h1-4,6,8,16H,5,7,13H2,(H,14,19)
InChIKeyUPQAKWGWQYCGMR-UHFFFAOYSA-N
XLogP0.51
TPSA128.11 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 50.51
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-chloro-3-nitro-N-(2-pyrazol-1-ylethyl)benzamide
CID 61462881
N-[2-(diethylamino)ethyl]-3-hydrazinyl-4-nitrobenzamide
CID 62682518
3-hydrazinyl-N-[(1-methylpyrazol-3-yl)methyl]-4-nitrobenzamide
CID 82873539
3,4-dihydroxy-N-(2-pyrazol-1-ylethyl)benzamide
CID 103956702
N-(cyclopropylmethyl)-3-hydrazinyl-4-nitrobenzamide
CID 62682327
3-(aminomethyl)-N-(2-pyrazol-1-ylethyl)benzamide
CID 54951124
4-hydrazinyl-3-nitro-N-propylbenzamide
CID 62237139
N-(3-ethylpentan-3-yl)-3-hydrazinyl-4-nitrobenzamide
CID 65042968
3-hydrazinyl-4-nitro-N-(2-thiophen-3-ylethyl)benzamide
CID 62682894
6-hydrazinyl-N-(2-pyrazol-1-ylethyl)pyridazine-3-carboxamide
CID 62243686
6-hydrazinyl-3-nitro-N-(2-pyrazol-1-ylethyl)pyridin-2-amine
CID 80896602
4-(2-pyrazol-1-ylethylcarbamoyl)pyridine-2-carboxylic acid
CID 113385006

Frequently Asked Questions

What is the IUPAC name of 3-hydrazinyl-4-nitro-N-(2-pyrazol-1-ylethyl)benzamide?
The IUPAC name of 3-hydrazinyl-4-nitro-N-(2-pyrazol-1-ylethyl)benzamide (CID 62682526) is 3-hydrazinyl-4-nitro-N-(2-pyrazol-1-ylethyl)benzamide.
What is the SMILES notation for 3-hydrazinyl-4-nitro-N-(2-pyrazol-1-ylethyl)benzamide?
The canonical SMILES for 3-hydrazinyl-4-nitro-N-(2-pyrazol-1-ylethyl)benzamide is NNc1cc(C(=O)NCCn2cccn2)ccc1[N+](=O)[O-].
What is the InChIKey of 3-hydrazinyl-4-nitro-N-(2-pyrazol-1-ylethyl)benzamide?
The InChIKey is UPQAKWGWQYCGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O3/c13-16-10-8-9(2-3-11(10)18(20)21)12(19)14-5-7-17-6-1-4-15-17/h1-4,6,8,16H,5,7,13H2,(H,14,19).
What are the key properties of 3-hydrazinyl-4-nitro-N-(2-pyrazol-1-ylethyl)benzamide?
3-hydrazinyl-4-nitro-N-(2-pyrazol-1-ylethyl)benzamide has a molecular weight of 290.28 g/mol, XLogP of 0.51, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinyl-4-nitro-N-(2-pyrazol-1-ylethyl)benzamide is sourced from PubChem (CID 62682526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).