2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N'-hydroxyethanimidamide

C7H11N5O3 — CID 51852290

IUPAC2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N'-hydroxyethanimidamide
SMILESCc1nn(C/C(N)=N\O)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C7H11N5O3/c1-4-7(12(14)15)5(2)11(9-4)3-6(8)10-13/h13H,3H2,1-2H3,(H2,8,10)
InChIKeyQKRUZYYYDZTVJM-UHFFFAOYSA-N
MW213.20 g/mol
LogP0.15
Rot. Bonds3

About 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N'-hydroxyethanimidamide

2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N'-hydroxyethanimidamide (PubChem CID 51852290) has the molecular formula C7H11N5O3 and a molecular weight of 213.20 g/mol. Its IUPAC name is 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N'-hydroxyethanimidamide
PubChem CID51852290
Molecular FormulaC7H11N5O3
Molecular Weight213.20 g/mol
Exact Mass213.09
IUPAC Name2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N'-hydroxyethanimidamide
SMILESCc1nn(C/C(N)=N\O)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C7H11N5O3/c1-4-7(12(14)15)5(2)11(9-4)3-6(8)10-13/h13H,3H2,1-2H3,(H2,8,10)
InChIKeyQKRUZYYYDZTVJM-UHFFFAOYSA-N
XLogP0.15
TPSA119.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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

2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl chloride
CID 83813704
1-ethyl-3,5-dimethyl-4-nitropyrazole
CID 3546708
[(E)-[1-amino-2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethylidene]amino] 1-ethylpyrazole-3-carboxylate
CID 51852011
[2-(ethylamino)-2-oxoethyl] 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate
CID 4783410
[(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate
CID 19292128
3,5-dimethyl-4-nitropyrazole-1-carboxamide
CID 134262667
1-(3,5-dimethyl-4-nitropyrazol-1-yl)propan-2-amine
CID 102689139
1-(3,5-dimethyl-4-nitropyrazol-1-yl)propan-2-ol
CID 60878381
(2-oxo-2-pyrrolidin-1-ylethyl) 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate
CID 40580622
1-(azocan-1-yl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethanone
CID 40753587
2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetaldehyde
CID 45157282
[2-(2-fluorophenyl)-2-oxoethyl] 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate
CID 7869550

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N'-hydroxyethanimidamide?
The IUPAC name of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N'-hydroxyethanimidamide (CID 51852290) is 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N'-hydroxyethanimidamide?
The canonical SMILES for 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N'-hydroxyethanimidamide is Cc1nn(C/C(N)=N\O)c(C)c1[N+](=O)[O-].
What is the InChIKey of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N'-hydroxyethanimidamide?
The InChIKey is QKRUZYYYDZTVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O3/c1-4-7(12(14)15)5(2)11(9-4)3-6(8)10-13/h13H,3H2,1-2H3,(H2,8,10).
What are the key properties of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N'-hydroxyethanimidamide?
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N'-hydroxyethanimidamide has a molecular weight of 213.20 g/mol, XLogP of 0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N'-hydroxyethanimidamide is sourced from PubChem (CID 51852290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).