5-amino-N-nitro-3-phenylpyrazole-1-carboximidamide

C10H10N6O2 — CID 137128703

IUPAC5-amino-N-nitro-3-phenylpyrazole-1-carboximidamide
SMILES[H]/N=C(\N[N+](=O)[O-])n1nc(-c2ccccc2)cc1N
InChIInChI=1S/C10H10N6O2/c11-9-6-8(7-4-2-1-3-5-7)13-15(9)10(12)14-16(17)18/h1-6H,11H2,(H2,12,14)
InChIKeyUWCSONUSZXCLSR-UHFFFAOYSA-N
MW246.23 g/mol
LogP0.70
Rot. Bonds2

About 5-amino-N-nitro-3-phenylpyrazole-1-carboximidamide

5-amino-N-nitro-3-phenylpyrazole-1-carboximidamide (PubChem CID 137128703) has the molecular formula C10H10N6O2 and a molecular weight of 246.23 g/mol. Its IUPAC name is 5-amino-N-nitro-3-phenylpyrazole-1-carboximidamide.

Molecular Properties

Compound Name5-amino-N-nitro-3-phenylpyrazole-1-carboximidamide
PubChem CID137128703
Molecular FormulaC10H10N6O2
Molecular Weight246.23 g/mol
Exact Mass246.09
IUPAC Name5-amino-N-nitro-3-phenylpyrazole-1-carboximidamide
SMILES[H]/N=C(\N[N+](=O)[O-])n1nc(-c2ccccc2)cc1N
InChIInChI=1S/C10H10N6O2/c11-9-6-8(7-4-2-1-3-5-7)13-15(9)10(12)14-16(17)18/h1-6H,11H2,(H2,12,14)
InChIKeyUWCSONUSZXCLSR-UHFFFAOYSA-N
XLogP0.70
TPSA122.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 50.70
H-Bond Donors ≤ 53
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': '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 5-amino-N-nitro-3-phenylpyrazole-1-carboximidamide?
The IUPAC name of 5-amino-N-nitro-3-phenylpyrazole-1-carboximidamide (CID 137128703) is 5-amino-N-nitro-3-phenylpyrazole-1-carboximidamide.
What is the SMILES notation for 5-amino-N-nitro-3-phenylpyrazole-1-carboximidamide?
The canonical SMILES for 5-amino-N-nitro-3-phenylpyrazole-1-carboximidamide is [H]/N=C(\N[N+](=O)[O-])n1nc(-c2ccccc2)cc1N.
What is the InChIKey of 5-amino-N-nitro-3-phenylpyrazole-1-carboximidamide?
The InChIKey is UWCSONUSZXCLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6O2/c11-9-6-8(7-4-2-1-3-5-7)13-15(9)10(12)14-16(17)18/h1-6H,11H2,(H2,12,14).
What are the key properties of 5-amino-N-nitro-3-phenylpyrazole-1-carboximidamide?
5-amino-N-nitro-3-phenylpyrazole-1-carboximidamide has a molecular weight of 246.23 g/mol, XLogP of 0.70, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-nitro-3-phenylpyrazole-1-carboximidamide is sourced from PubChem (CID 137128703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).