1-methyl-3-(3-methylpyrazol-1-yl)-4-nitropyrazole

C8H9N5O2 — CID 103080568

IUPAC1-methyl-3-(3-methylpyrazol-1-yl)-4-nitropyrazole
SMILESCc1ccn(-c2nn(C)cc2[N+](=O)[O-])n1
InChIInChI=1S/C8H9N5O2/c1-6-3-4-12(9-6)8-7(13(14)15)5-11(2)10-8/h3-5H,1-2H3
InChIKeyJGTJLJHUVBLICZ-UHFFFAOYSA-N
MW207.19 g/mol
LogP0.82
Rot. Bonds2

About 1-methyl-3-(3-methylpyrazol-1-yl)-4-nitropyrazole

1-methyl-3-(3-methylpyrazol-1-yl)-4-nitropyrazole (PubChem CID 103080568) has the molecular formula C8H9N5O2 and a molecular weight of 207.19 g/mol. Its IUPAC name is 1-methyl-3-(3-methylpyrazol-1-yl)-4-nitropyrazole.

Molecular Properties

Compound Name1-methyl-3-(3-methylpyrazol-1-yl)-4-nitropyrazole
PubChem CID103080568
Molecular FormulaC8H9N5O2
Molecular Weight207.19 g/mol
Exact Mass207.08
IUPAC Name1-methyl-3-(3-methylpyrazol-1-yl)-4-nitropyrazole
SMILESCc1ccn(-c2nn(C)cc2[N+](=O)[O-])n1
InChIInChI=1S/C8H9N5O2/c1-6-3-4-12(9-6)8-7(13(14)15)5-11(2)10-8/h3-5H,1-2H3
InChIKeyJGTJLJHUVBLICZ-UHFFFAOYSA-N
XLogP0.82
TPSA78.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 50.82
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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Related Compounds

6-methyl-2-(3-methylpyrazol-1-yl)-3-nitropyridine
CID 81136870
6-methoxy-2-(3-methylpyrazol-1-yl)-3-nitropyridine
CID 113287000
6-(3-methylpyrazol-1-yl)-3-nitropyridin-2-amine
CID 79815731
4-methyl-2-(3-methylpyrazol-1-yl)-5-nitropyridine
CID 79175720
1-(4-fluoro-5-methyl-2-nitrophenyl)-3-methylpyrazole
CID 103594399
3-methyl-1-(3-methylsulfanyl-4-nitrophenyl)pyrazole
CID 134507873
2-(3-methylpyrazol-1-yl)-5-nitropyridine-4-carboxylic acid
CID 114089660
4-(3-methylpyrazol-1-yl)-6-nitroquinazoline
CID 64588699
3-(3-methylpyrazol-1-yl)-5-nitro-1,2-benzothiazole
CID 20634278
3,5-dimethyl-1-(1-methyl-4-nitropyrazol-3-yl)pyrazole-4-carboxylic acid
CID 103080478
[1-(1-methyl-4-nitropyrazol-3-yl)azetidin-3-yl]methanol
CID 103080430
1-methyl-4-nitro-3-nitrosopyrazole
CID 130375922

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(3-methylpyrazol-1-yl)-4-nitropyrazole?
The IUPAC name of 1-methyl-3-(3-methylpyrazol-1-yl)-4-nitropyrazole (CID 103080568) is 1-methyl-3-(3-methylpyrazol-1-yl)-4-nitropyrazole.
What is the SMILES notation for 1-methyl-3-(3-methylpyrazol-1-yl)-4-nitropyrazole?
The canonical SMILES for 1-methyl-3-(3-methylpyrazol-1-yl)-4-nitropyrazole is Cc1ccn(-c2nn(C)cc2[N+](=O)[O-])n1.
What is the InChIKey of 1-methyl-3-(3-methylpyrazol-1-yl)-4-nitropyrazole?
The InChIKey is JGTJLJHUVBLICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O2/c1-6-3-4-12(9-6)8-7(13(14)15)5-11(2)10-8/h3-5H,1-2H3.
What are the key properties of 1-methyl-3-(3-methylpyrazol-1-yl)-4-nitropyrazole?
1-methyl-3-(3-methylpyrazol-1-yl)-4-nitropyrazole has a molecular weight of 207.19 g/mol, XLogP of 0.82, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(3-methylpyrazol-1-yl)-4-nitropyrazole is sourced from PubChem (CID 103080568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).