3,5-dimethyl-4-nitropyrazole-1-carboximidamide;nitric acid

C6H10N6O5 — CID 86749010

IUPAC3,5-dimethyl-4-nitropyrazole-1-carboximidamide;nitric acid
SMILESO=[N+]([O-])O.[H]/N=C(\N)n1nc(C)c([N+](=O)[O-])c1C
InChIInChI=1S/C6H9N5O2.HNO3/c1-3-5(11(12)13)4(2)10(9-3)6(7)8;2-1(3)4/h1-2H3,(H3,7,8);(H,2,3,4)
InChIKeyIVGVFAMZCJKRCJ-UHFFFAOYSA-N
MW246.18 g/mol
LogP-0.20
Rot. Bonds1

About 3,5-dimethyl-4-nitropyrazole-1-carboximidamide;nitric acid

3,5-dimethyl-4-nitropyrazole-1-carboximidamide;nitric acid (PubChem CID 86749010) has the molecular formula C6H10N6O5 and a molecular weight of 246.18 g/mol. Its IUPAC name is 3,5-dimethyl-4-nitropyrazole-1-carboximidamide;nitric acid.

Molecular Properties

Compound Name3,5-dimethyl-4-nitropyrazole-1-carboximidamide;nitric acid
PubChem CID86749010
Molecular FormulaC6H10N6O5
Molecular Weight246.18 g/mol
Exact Mass246.07
IUPAC Name3,5-dimethyl-4-nitropyrazole-1-carboximidamide;nitric acid
SMILESO=[N+]([O-])O.[H]/N=C(\N)n1nc(C)c([N+](=O)[O-])c1C
InChIInChI=1S/C6H9N5O2.HNO3/c1-3-5(11(12)13)4(2)10(9-3)6(7)8;2-1(3)4/h1-2H3,(H3,7,8);(H,2,3,4)
InChIKeyIVGVFAMZCJKRCJ-UHFFFAOYSA-N
XLogP-0.20
TPSA174.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.18
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-nitropyrazole-1-carboximidamide;nitric acid?
The IUPAC name of 3,5-dimethyl-4-nitropyrazole-1-carboximidamide;nitric acid (CID 86749010) is 3,5-dimethyl-4-nitropyrazole-1-carboximidamide;nitric acid.
What is the SMILES notation for 3,5-dimethyl-4-nitropyrazole-1-carboximidamide;nitric acid?
The canonical SMILES for 3,5-dimethyl-4-nitropyrazole-1-carboximidamide;nitric acid is O=[N+]([O-])O.[H]/N=C(\N)n1nc(C)c([N+](=O)[O-])c1C.
What is the InChIKey of 3,5-dimethyl-4-nitropyrazole-1-carboximidamide;nitric acid?
The InChIKey is IVGVFAMZCJKRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5O2.HNO3/c1-3-5(11(12)13)4(2)10(9-3)6(7)8;2-1(3)4/h1-2H3,(H3,7,8);(H,2,3,4).
What are the key properties of 3,5-dimethyl-4-nitropyrazole-1-carboximidamide;nitric acid?
3,5-dimethyl-4-nitropyrazole-1-carboximidamide;nitric acid has a molecular weight of 246.18 g/mol, XLogP of -0.20, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-nitropyrazole-1-carboximidamide;nitric acid is sourced from PubChem (CID 86749010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).