1-methyl-4-nitro-3-nitrosopyrazole

C4H4N4O3 — CID 130375922

IUPAC1-methyl-4-nitro-3-nitrosopyrazole
SMILESCn1cc([N+](=O)[O-])c(N=O)n1
InChIInChI=1S/C4H4N4O3/c1-7-2-3(8(10)11)4(5-7)6-9/h2H,1H3
InChIKeyCXSOIFUDRJRQSK-UHFFFAOYSA-N
MW156.10 g/mol
LogP0.73
Rot. Bonds2

About 1-methyl-4-nitro-3-nitrosopyrazole

1-methyl-4-nitro-3-nitrosopyrazole (PubChem CID 130375922) has the molecular formula C4H4N4O3 and a molecular weight of 156.10 g/mol. Its IUPAC name is 1-methyl-4-nitro-3-nitrosopyrazole.

Molecular Properties

Compound Name1-methyl-4-nitro-3-nitrosopyrazole
PubChem CID130375922
Molecular FormulaC4H4N4O3
Molecular Weight156.10 g/mol
Exact Mass156.03
IUPAC Name1-methyl-4-nitro-3-nitrosopyrazole
SMILESCn1cc([N+](=O)[O-])c(N=O)n1
InChIInChI=1S/C4H4N4O3/c1-7-2-3(8(10)11)4(5-7)6-9/h2H,1H3
InChIKeyCXSOIFUDRJRQSK-UHFFFAOYSA-N
XLogP0.73
TPSA90.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.10
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-3-nitrosopyrazole?
The IUPAC name of 1-methyl-4-nitro-3-nitrosopyrazole (CID 130375922) is 1-methyl-4-nitro-3-nitrosopyrazole.
What is the SMILES notation for 1-methyl-4-nitro-3-nitrosopyrazole?
The canonical SMILES for 1-methyl-4-nitro-3-nitrosopyrazole is Cn1cc([N+](=O)[O-])c(N=O)n1.
What is the InChIKey of 1-methyl-4-nitro-3-nitrosopyrazole?
The InChIKey is CXSOIFUDRJRQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N4O3/c1-7-2-3(8(10)11)4(5-7)6-9/h2H,1H3.
What are the key properties of 1-methyl-4-nitro-3-nitrosopyrazole?
1-methyl-4-nitro-3-nitrosopyrazole has a molecular weight of 156.10 g/mol, XLogP of 0.73, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-nitro-3-nitrosopyrazole is sourced from PubChem (CID 130375922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).