2,5-dimethyl-3H-pyrazole-1-carboximidamide;nitric acid

C6H13N5O3 — CID 69328205

IUPAC2,5-dimethyl-3H-pyrazole-1-carboximidamide;nitric acid
SMILESO=[N+]([O-])O.[H]/N=C(\N)N1C(C)=CCN1C
InChIInChI=1S/C6H12N4.HNO3/c1-5-3-4-9(2)10(5)6(7)8;2-1(3)4/h3H,4H2,1-2H3,(H3,7,8);(H,2,3,4)
InChIKeyAZJXBPLHIHTXJF-UHFFFAOYSA-N
MW203.20 g/mol
LogP-0.40
Rot. Bonds

About 2,5-dimethyl-3H-pyrazole-1-carboximidamide;nitric acid

2,5-dimethyl-3H-pyrazole-1-carboximidamide;nitric acid (PubChem CID 69328205) has the molecular formula C6H13N5O3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 2,5-dimethyl-3H-pyrazole-1-carboximidamide;nitric acid.

Molecular Properties

Compound Name2,5-dimethyl-3H-pyrazole-1-carboximidamide;nitric acid
PubChem CID69328205
Molecular FormulaC6H13N5O3
Molecular Weight203.20 g/mol
Exact Mass203.10
IUPAC Name2,5-dimethyl-3H-pyrazole-1-carboximidamide;nitric acid
SMILESO=[N+]([O-])O.[H]/N=C(\N)N1C(C)=CCN1C
InChIInChI=1S/C6H12N4.HNO3/c1-5-3-4-9(2)10(5)6(7)8;2-1(3)4/h3H,4H2,1-2H3,(H3,7,8);(H,2,3,4)
InChIKeyAZJXBPLHIHTXJF-UHFFFAOYSA-N
XLogP-0.40
TPSA119.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 2,5-dimethyl-3H-pyrazole-1-carboximidamide;nitric acid?
The IUPAC name of 2,5-dimethyl-3H-pyrazole-1-carboximidamide;nitric acid (CID 69328205) is 2,5-dimethyl-3H-pyrazole-1-carboximidamide;nitric acid.
What is the SMILES notation for 2,5-dimethyl-3H-pyrazole-1-carboximidamide;nitric acid?
The canonical SMILES for 2,5-dimethyl-3H-pyrazole-1-carboximidamide;nitric acid is O=[N+]([O-])O.[H]/N=C(\N)N1C(C)=CCN1C.
What is the InChIKey of 2,5-dimethyl-3H-pyrazole-1-carboximidamide;nitric acid?
The InChIKey is AZJXBPLHIHTXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4.HNO3/c1-5-3-4-9(2)10(5)6(7)8;2-1(3)4/h3H,4H2,1-2H3,(H3,7,8);(H,2,3,4).
What are the key properties of 2,5-dimethyl-3H-pyrazole-1-carboximidamide;nitric acid?
2,5-dimethyl-3H-pyrazole-1-carboximidamide;nitric acid has a molecular weight of 203.20 g/mol, XLogP of -0.40, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3H-pyrazole-1-carboximidamide;nitric acid is sourced from PubChem (CID 69328205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).