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

C6H9N5O2 — CID 135471153

IUPAC3,5-dimethyl-N-nitropyrazole-1-carboximidamide
SMILES[H]/N=C(\N[N+](=O)[O-])n1nc(C)cc1C
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
LogP0.06
Rot. Bonds1

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

3,5-dimethyl-N-nitropyrazole-1-carboximidamide (PubChem CID 135471153) 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 CID135471153
Molecular FormulaC6H9N5O2
Molecular Weight183.17 g/mol
Exact Mass183.08
IUPAC Name3,5-dimethyl-N-nitropyrazole-1-carboximidamide
SMILES[H]/N=C(\N[N+](=O)[O-])n1nc(C)cc1C
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
XLogP0.06
TPSA96.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Related Compounds

3,5-Dimethyl-1H-pyrazole-1-carboxamidine mononitrate
CID 198186
3,5-Dimethylpyrazole-1-carboxamidine monohydrochloride
CID 218002
3,5-Dimethylpyrazole-1-carboxamidine
CID 97525
4-amino-5-(3,5-dimethyl-1H-pyrazol-1-yl)-4H-1,2,4-triazole-3-thiol
CID 686806
3,6-bis(3,5-dimethyl-1H-pyrazol-1-yl)-1,2-dihydro-1,2,4,5-tetraazine
CID 780411
3,5-dimethyl-N'-nitropyrazole-1-carboximidamide
CID 7240976
3,5-Dimethylpyrazole-1-carbohydrazide
CID 91621814
6-(3,5-Dimethyl-1H-pyrazol-1-YL)-1,2,4,5-tetrazin-3-OL
CID 118697939
1-Guanyl-3,5-dimethylpyrazole hydrobromide
CID 129847116
1-[(2-hydroxy-2-oxidohydrazino)(imino)methyl]-3,5-dimethyl-1H-pyrazole
CID 76278
CID 5464615
CID 5464615
(3,5-dimethyl-1H-pyrazol-1-yl)(imino)methanaminium
CID 6339258

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 135471153) 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 [H]/N=C(\N[N+](=O)[O-])n1nc(C)cc1C.
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 0.06, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-nitropyrazole-1-carboximidamide is sourced from PubChem (CID 135471153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).