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

C6H9N5O2 — CID 7240976

IUPAC3,5-dimethyl-N'-nitropyrazole-1-carboximidamide
SMILESCc1cc(C)n(/C(N)=N/[N+](=O)[O-])n1
InChIInChI=1S/C6H9N5O2/c1-4-3-5(2)10(8-4)6(7)9-11(12)13/h3H,1-2H3,(H2,7,9)
InChIKeyYJQYMUPERFRTJO-UHFFFAOYSA-N
MW183.17 g/mol
LogP-0.15
Rot. Bonds1

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

3,5-dimethyl-N'-nitropyrazole-1-carboximidamide (PubChem CID 7240976) has the molecular formula C6H9N5O2 and a molecular weight of 183.17 g/mol. Its IUPAC name is 3,5-dimethyl-N'-nitropyrazole-1-carboximidamide.

Molecular Properties

Compound Name3,5-dimethyl-N'-nitropyrazole-1-carboximidamide
PubChem CID7240976
Molecular FormulaC6H9N5O2
Molecular Weight183.17 g/mol
Exact Mass183.08
IUPAC Name3,5-dimethyl-N'-nitropyrazole-1-carboximidamide
SMILESCc1cc(C)n(/C(N)=N/[N+](=O)[O-])n1
InChIInChI=1S/C6H9N5O2/c1-4-3-5(2)10(8-4)6(7)9-11(12)13/h3H,1-2H3,(H2,7,9)
InChIKeyYJQYMUPERFRTJO-UHFFFAOYSA-N
XLogP-0.15
TPSA99.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
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': 'N-nitroso', '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-N'-nitropyrazole-1-carboximidamide?
The IUPAC name of 3,5-dimethyl-N'-nitropyrazole-1-carboximidamide (CID 7240976) is 3,5-dimethyl-N'-nitropyrazole-1-carboximidamide.
What is the SMILES notation for 3,5-dimethyl-N'-nitropyrazole-1-carboximidamide?
The canonical SMILES for 3,5-dimethyl-N'-nitropyrazole-1-carboximidamide is Cc1cc(C)n(/C(N)=N/[N+](=O)[O-])n1.
What is the InChIKey of 3,5-dimethyl-N'-nitropyrazole-1-carboximidamide?
The InChIKey is YJQYMUPERFRTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5O2/c1-4-3-5(2)10(8-4)6(7)9-11(12)13/h3H,1-2H3,(H2,7,9).
What are the key properties of 3,5-dimethyl-N'-nitropyrazole-1-carboximidamide?
3,5-dimethyl-N'-nitropyrazole-1-carboximidamide has a molecular weight of 183.17 g/mol, XLogP of -0.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N'-nitropyrazole-1-carboximidamide is sourced from PubChem (CID 7240976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).