5-(3,5-dimethylpyrazol-1-yl)-1,3-dimethyl-4-nitropyrazole

C10H13N5O2 — CID 55240161

IUPAC5-(3,5-dimethylpyrazol-1-yl)-1,3-dimethyl-4-nitropyrazole
SMILESCc1cc(C)n(-c2c([N+](=O)[O-])c(C)nn2C)n1
InChIInChI=1S/C10H13N5O2/c1-6-5-7(2)14(11-6)10-9(15(16)17)8(3)12-13(10)4/h5H,1-4H3
InChIKeyNGYVGZGARQDKRQ-UHFFFAOYSA-N
MW235.25 g/mol
LogP1.44
Rot. Bonds2

About 5-(3,5-dimethylpyrazol-1-yl)-1,3-dimethyl-4-nitropyrazole

5-(3,5-dimethylpyrazol-1-yl)-1,3-dimethyl-4-nitropyrazole (PubChem CID 55240161) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is 5-(3,5-dimethylpyrazol-1-yl)-1,3-dimethyl-4-nitropyrazole.

Molecular Properties

Compound Name5-(3,5-dimethylpyrazol-1-yl)-1,3-dimethyl-4-nitropyrazole
PubChem CID55240161
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name5-(3,5-dimethylpyrazol-1-yl)-1,3-dimethyl-4-nitropyrazole
SMILESCc1cc(C)n(-c2c([N+](=O)[O-])c(C)nn2C)n1
InChIInChI=1S/C10H13N5O2/c1-6-5-7(2)14(11-6)10-9(15(16)17)8(3)12-13(10)4/h5H,1-4H3
InChIKeyNGYVGZGARQDKRQ-UHFFFAOYSA-N
XLogP1.44
TPSA78.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 51.44
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

1,3-dimethyl-5-(5-methyl-3-phenylpyrazol-1-yl)-4-nitropyrazole
CID 177460733
1-(1,3-dimethyl-4-nitropyrazol-5-yl)azepane
CID 47213588
ethyl 5-amino-1-(1,3-dimethyl-4-nitropyrazol-5-yl)pyrazole-4-carboxylate
CID 2807429
2-(3,5-dimethylpyrazol-1-yl)-5-nitrobenzaldehyde
CID 43122053
2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-oxadiazole
CID 19542346
6-(3,5-dimethylpyrazol-1-yl)-N-ethyl-5-nitro-N-phenylpyrimidin-4-amine
CID 23478372
6-(3,5-dimethylpyrazol-1-yl)-N-(4-methylphenyl)-5-nitropyrimidin-4-amine
CID 22532939
3-bromo-2-(3,5-dimethylpyrazol-1-yl)-5-nitropyridine
CID 79523372
2,3-bis(3,5-dimethylpyrazol-1-yl)-6-nitroquinoxaline
CID 1249564
4-(3,5-dimethylpyrazol-1-yl)-6-(4-ethylpiperazin-1-yl)-5-nitropyrimidine
CID 23490427
(1,3-dimethyl-4-nitropyrazol-5-yl)hydrazine
CID 3537257
[3-(3,5-dimethylpyrazol-1-yl)-5-nitrophenyl]hydrazine
CID 80900658

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylpyrazol-1-yl)-1,3-dimethyl-4-nitropyrazole?
The IUPAC name of 5-(3,5-dimethylpyrazol-1-yl)-1,3-dimethyl-4-nitropyrazole (CID 55240161) is 5-(3,5-dimethylpyrazol-1-yl)-1,3-dimethyl-4-nitropyrazole.
What is the SMILES notation for 5-(3,5-dimethylpyrazol-1-yl)-1,3-dimethyl-4-nitropyrazole?
The canonical SMILES for 5-(3,5-dimethylpyrazol-1-yl)-1,3-dimethyl-4-nitropyrazole is Cc1cc(C)n(-c2c([N+](=O)[O-])c(C)nn2C)n1.
What is the InChIKey of 5-(3,5-dimethylpyrazol-1-yl)-1,3-dimethyl-4-nitropyrazole?
The InChIKey is NGYVGZGARQDKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c1-6-5-7(2)14(11-6)10-9(15(16)17)8(3)12-13(10)4/h5H,1-4H3.
What are the key properties of 5-(3,5-dimethylpyrazol-1-yl)-1,3-dimethyl-4-nitropyrazole?
5-(3,5-dimethylpyrazol-1-yl)-1,3-dimethyl-4-nitropyrazole has a molecular weight of 235.25 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethylpyrazol-1-yl)-1,3-dimethyl-4-nitropyrazole is sourced from PubChem (CID 55240161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).