1-methyl-4-nitro-N-(4-nitropyrazol-1-yl)pyrazole-3-carboxamide

C8H7N7O5 — CID 4765841

IUPAC1-methyl-4-nitro-N-(4-nitropyrazol-1-yl)pyrazole-3-carboxamide
SMILESCn1cc([N+](=O)[O-])c(C(=O)Nn2cc([N+](=O)[O-])cn2)n1
InChIInChI=1S/C8H7N7O5/c1-12-4-6(15(19)20)7(10-12)8(16)11-13-3-5(2-9-13)14(17)18/h2-4H,1H3,(H,11,16)
InChIKeyAPNJUVIPFFVDDF-UHFFFAOYSA-N
MW281.19 g/mol
LogP-0.18
Rot. Bonds4

About 1-methyl-4-nitro-N-(4-nitropyrazol-1-yl)pyrazole-3-carboxamide

1-methyl-4-nitro-N-(4-nitropyrazol-1-yl)pyrazole-3-carboxamide (PubChem CID 4765841) has the molecular formula C8H7N7O5 and a molecular weight of 281.19 g/mol. Its IUPAC name is 1-methyl-4-nitro-N-(4-nitropyrazol-1-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-4-nitro-N-(4-nitropyrazol-1-yl)pyrazole-3-carboxamide
PubChem CID4765841
Molecular FormulaC8H7N7O5
Molecular Weight281.19 g/mol
Exact Mass281.05
IUPAC Name1-methyl-4-nitro-N-(4-nitropyrazol-1-yl)pyrazole-3-carboxamide
SMILESCn1cc([N+](=O)[O-])c(C(=O)Nn2cc([N+](=O)[O-])cn2)n1
InChIInChI=1S/C8H7N7O5/c1-12-4-6(15(19)20)7(10-12)8(16)11-13-3-5(2-9-13)14(17)18/h2-4H,1H3,(H,11,16)
InChIKeyAPNJUVIPFFVDDF-UHFFFAOYSA-N
XLogP-0.18
TPSA151.02 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.19
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'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 1-methyl-4-nitro-N-(4-nitropyrazol-1-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-methyl-4-nitro-N-(4-nitropyrazol-1-yl)pyrazole-3-carboxamide (CID 4765841) is 1-methyl-4-nitro-N-(4-nitropyrazol-1-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-4-nitro-N-(4-nitropyrazol-1-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-4-nitro-N-(4-nitropyrazol-1-yl)pyrazole-3-carboxamide is Cn1cc([N+](=O)[O-])c(C(=O)Nn2cc([N+](=O)[O-])cn2)n1.
What is the InChIKey of 1-methyl-4-nitro-N-(4-nitropyrazol-1-yl)pyrazole-3-carboxamide?
The InChIKey is APNJUVIPFFVDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N7O5/c1-12-4-6(15(19)20)7(10-12)8(16)11-13-3-5(2-9-13)14(17)18/h2-4H,1H3,(H,11,16).
What are the key properties of 1-methyl-4-nitro-N-(4-nitropyrazol-1-yl)pyrazole-3-carboxamide?
1-methyl-4-nitro-N-(4-nitropyrazol-1-yl)pyrazole-3-carboxamide has a molecular weight of 281.19 g/mol, XLogP of -0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-nitro-N-(4-nitropyrazol-1-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 4765841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).