N-[2-(1,5-dimethyl-4-nitropyrazol-3-yl)ethylidene]hydroxylamine

C7H10N4O3 — CID 2805423

IUPACN-[2-(1,5-dimethyl-4-nitropyrazol-3-yl)ethylidene]hydroxylamine
SMILESCc1c([N+](=O)[O-])c(CC=NO)nn1C
InChIInChI=1S/C7H10N4O3/c1-5-7(11(13)14)6(3-4-8-12)9-10(5)2/h4,12H,3H2,1-2H3
InChIKeyPHWBRZCEXLJVMI-UHFFFAOYSA-N
MW198.18 g/mol
LogP0.64
Rot. Bonds3

About N-[2-(1,5-dimethyl-4-nitropyrazol-3-yl)ethylidene]hydroxylamine

N-[2-(1,5-dimethyl-4-nitropyrazol-3-yl)ethylidene]hydroxylamine (PubChem CID 2805423) has the molecular formula C7H10N4O3 and a molecular weight of 198.18 g/mol. Its IUPAC name is N-[2-(1,5-dimethyl-4-nitropyrazol-3-yl)ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[2-(1,5-dimethyl-4-nitropyrazol-3-yl)ethylidene]hydroxylamine
PubChem CID2805423
Molecular FormulaC7H10N4O3
Molecular Weight198.18 g/mol
Exact Mass198.08
IUPAC NameN-[2-(1,5-dimethyl-4-nitropyrazol-3-yl)ethylidene]hydroxylamine
SMILESCc1c([N+](=O)[O-])c(CC=NO)nn1C
InChIInChI=1S/C7H10N4O3/c1-5-7(11(13)14)6(3-4-8-12)9-10(5)2/h4,12H,3H2,1-2H3
InChIKeyPHWBRZCEXLJVMI-UHFFFAOYSA-N
XLogP0.64
TPSA93.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,3,5-Trimethyl-4-nitro-1H-pyrazole
CID 121019
2-(1,5-dimethyl-4-nitro-1H-pyrazol-3-yl)acetaldehyde oxime
CID 9583526
2-(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)acetaldehyde O-methyloxime
CID 9581625
1,3-dimethyl-4-nitro-1H-pyrazole-5-carbonitrile
CID 96507
3,5-Ditert-butyl-1-methyl-4-nitropyrazole
CID 2742107
1,3,5-Trimethyl-4-nitrosopyrazole
CID 15669009
1-(Difluoromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
CID 2060833
1-Ethenyl-3,5-dimethyl-4-nitro-1H-pyrazole
CID 13498185
1-Ethyl-5-methyl-4-nitro-3-(trifluoromethyl)pyrazole
CID 19080772
1,5-Dimethyl-4-nitro-3-(trifluoromethyl)-1H-pyrazole
CID 50896711
3,5-Bis(difluoromethyl)-1-methyl-4-nitropyrazole
CID 59173015
5-(1,1,2,2,3,3,3-Heptafluoropropyl)-1,3-dimethyl-4-nitropyrazole
CID 89229392

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,5-dimethyl-4-nitropyrazol-3-yl)ethylidene]hydroxylamine?
The IUPAC name of N-[2-(1,5-dimethyl-4-nitropyrazol-3-yl)ethylidene]hydroxylamine (CID 2805423) is N-[2-(1,5-dimethyl-4-nitropyrazol-3-yl)ethylidene]hydroxylamine.
What is the SMILES notation for N-[2-(1,5-dimethyl-4-nitropyrazol-3-yl)ethylidene]hydroxylamine?
The canonical SMILES for N-[2-(1,5-dimethyl-4-nitropyrazol-3-yl)ethylidene]hydroxylamine is Cc1c([N+](=O)[O-])c(CC=NO)nn1C.
What is the InChIKey of N-[2-(1,5-dimethyl-4-nitropyrazol-3-yl)ethylidene]hydroxylamine?
The InChIKey is PHWBRZCEXLJVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O3/c1-5-7(11(13)14)6(3-4-8-12)9-10(5)2/h4,12H,3H2,1-2H3.
What are the key properties of N-[2-(1,5-dimethyl-4-nitropyrazol-3-yl)ethylidene]hydroxylamine?
N-[2-(1,5-dimethyl-4-nitropyrazol-3-yl)ethylidene]hydroxylamine has a molecular weight of 198.18 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,5-dimethyl-4-nitropyrazol-3-yl)ethylidene]hydroxylamine is sourced from PubChem (CID 2805423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).