N'-hydroxy-1,3-dimethyl-4-nitropyrazole-5-carboximidamide

C6H9N5O3 — CID 154085797

IUPACN'-hydroxy-1,3-dimethyl-4-nitropyrazole-5-carboximidamide
SMILESCc1nn(C)c(C(N)=NO)c1[N+](=O)[O-]
InChIInChI=1S/C6H9N5O3/c1-3-4(11(13)14)5(6(7)9-12)10(2)8-3/h12H,1-2H3,(H2,7,9)
InChIKeyJTGIORWWNSIOBN-UHFFFAOYSA-N
MW199.17 g/mol
LogP-0.27
Rot. Bonds2

About N'-hydroxy-1,3-dimethyl-4-nitropyrazole-5-carboximidamide

N'-hydroxy-1,3-dimethyl-4-nitropyrazole-5-carboximidamide (PubChem CID 154085797) has the molecular formula C6H9N5O3 and a molecular weight of 199.17 g/mol. Its IUPAC name is N'-hydroxy-1,3-dimethyl-4-nitropyrazole-5-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1,3-dimethyl-4-nitropyrazole-5-carboximidamide
PubChem CID154085797
Molecular FormulaC6H9N5O3
Molecular Weight199.17 g/mol
Exact Mass199.07
IUPAC NameN'-hydroxy-1,3-dimethyl-4-nitropyrazole-5-carboximidamide
SMILESCc1nn(C)c(C(N)=NO)c1[N+](=O)[O-]
InChIInChI=1S/C6H9N5O3/c1-3-4(11(13)14)5(6(7)9-12)10(2)8-3/h12H,1-2H3,(H2,7,9)
InChIKeyJTGIORWWNSIOBN-UHFFFAOYSA-N
XLogP-0.27
TPSA119.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 5-0.27
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'}

Analyze N'-hydroxy-1,3-dimethyl-4-nitropyrazole-5-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-1-(1,3-dimethyl-4-nitropyrazol-5-yl)ethanone
CID 45156993
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N'-hydroxyethanimidamide
CID 51852290
N-(2-amino-2-ethylbutyl)-1,3-dimethyl-4-nitropyrazole-5-carboxamide
CID 119640665
N-butyl-1,3-dimethyl-4-nitropyrazole-5-carboxamide
CID 19480862
N-cyclopentyl-1,3-dimethyl-4-nitropyrazole-5-carboxamide
CID 19578053
N-(1-amino-2,4-dimethylpentan-2-yl)-1,3-dimethyl-4-nitropyrazole-5-carboxamide;hydrochloride
CID 119598125
(1,3-dimethyl-4-nitropyrazol-5-yl)hydrazine
CID 3537257
(1,3-dimethyl-4-nitropyrazol-5-yl)-piperidin-1-ylmethanone
CID 20549924
N-[2-(aminomethyl)cyclohexyl]-1,3-dimethyl-4-nitropyrazole-5-carboxamide
CID 119609983
3,5-dimethyl-4-nitropyrazole-1-carboxamide
CID 134262667
N-[2-(aminomethyl)cyclohexyl]-1,3-dimethyl-4-nitropyrazole-5-carboxamide;hydrochloride
CID 119609982
1,3-dimethyl-4-nitro-N-[(E)-(4-nitrophenyl)methylideneamino]pyrazole-5-carboxamide
CID 6873486

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1,3-dimethyl-4-nitropyrazole-5-carboximidamide?
The IUPAC name of N'-hydroxy-1,3-dimethyl-4-nitropyrazole-5-carboximidamide (CID 154085797) is N'-hydroxy-1,3-dimethyl-4-nitropyrazole-5-carboximidamide.
What is the SMILES notation for N'-hydroxy-1,3-dimethyl-4-nitropyrazole-5-carboximidamide?
The canonical SMILES for N'-hydroxy-1,3-dimethyl-4-nitropyrazole-5-carboximidamide is Cc1nn(C)c(C(N)=NO)c1[N+](=O)[O-].
What is the InChIKey of N'-hydroxy-1,3-dimethyl-4-nitropyrazole-5-carboximidamide?
The InChIKey is JTGIORWWNSIOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5O3/c1-3-4(11(13)14)5(6(7)9-12)10(2)8-3/h12H,1-2H3,(H2,7,9).
What are the key properties of N'-hydroxy-1,3-dimethyl-4-nitropyrazole-5-carboximidamide?
N'-hydroxy-1,3-dimethyl-4-nitropyrazole-5-carboximidamide has a molecular weight of 199.17 g/mol, XLogP of -0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1,3-dimethyl-4-nitropyrazole-5-carboximidamide is sourced from PubChem (CID 154085797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).