5-methyl-3-(3-methylpyrazol-1-yl)-4-nitro-1H-pyrazole

C8H9N5O2 — CID 762763

IUPAC5-methyl-3-(3-methylpyrazol-1-yl)-4-nitro-1H-pyrazole
SMILESCc1ccn(-c2n[nH]c(C)c2[N+](=O)[O-])n1
InChIInChI=1S/C8H9N5O2/c1-5-3-4-12(11-5)8-7(13(14)15)6(2)9-10-8/h3-4H,1-2H3,(H,9,10)
InChIKeyJVQQVKXTIHJKKW-UHFFFAOYSA-N
MW207.19 g/mol
LogP1.12
Rot. Bonds2

About 5-methyl-3-(3-methylpyrazol-1-yl)-4-nitro-1H-pyrazole

5-methyl-3-(3-methylpyrazol-1-yl)-4-nitro-1H-pyrazole (PubChem CID 762763) has the molecular formula C8H9N5O2 and a molecular weight of 207.19 g/mol. Its IUPAC name is 5-methyl-3-(3-methylpyrazol-1-yl)-4-nitro-1H-pyrazole.

Molecular Properties

Compound Name5-methyl-3-(3-methylpyrazol-1-yl)-4-nitro-1H-pyrazole
PubChem CID762763
Molecular FormulaC8H9N5O2
Molecular Weight207.19 g/mol
Exact Mass207.08
IUPAC Name5-methyl-3-(3-methylpyrazol-1-yl)-4-nitro-1H-pyrazole
SMILESCc1ccn(-c2n[nH]c(C)c2[N+](=O)[O-])n1
InChIInChI=1S/C8H9N5O2/c1-5-3-4-12(11-5)8-7(13(14)15)6(2)9-10-8/h3-4H,1-2H3,(H,9,10)
InChIKeyJVQQVKXTIHJKKW-UHFFFAOYSA-N
XLogP1.12
TPSA89.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

3,5-dimethyl-1-(5-methyl-4-nitro-1H-pyrazol-3-yl)pyrazole
CID 534075
3-Methyl-2'h-[1,3']bipyrazolyl
CID 12560594
5'-Methyl-4'-nitro-2'H-[1,3']bipyrazolyl
CID 534071
5-(1H-imidazol-1-yl)-3-methyl-4-nitro-1H-pyrazole
CID 776375
[1-(4-fluoro-5-methyl-1H-pyrazol-3-yl)pyrazol-3-yl]methanamine
CID 89147296
3-(3,5-Dimethylpyrazol-1-yl)-4-nitro-pyrazole
CID 12560578
3-(3,5-Di-methyl-4-nitropyrazol-1-yl)-4-nitropyrazole
CID 12996048
3-(4-Chloro-pyrazol-1-yl)-5-methyl-4-nitropyrazole
CID 12997080
4,5'-Dinitro-2'h-[1,3'-bipyrazole]-3,4'-dicarbonitrile
CID 171920536
N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-1,3-dimethyl-4-nitropyrazol-5-amine
CID 71978653
[(1,5-Dimethylpyrazol-4-yl)methyl](4-nitropyrazol-5-yl)amine
CID 4767572
[3-(5-Methylpyrazolyl)propyl](4-nitropyrazol-5-yl)amine
CID 4767668

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(3-methylpyrazol-1-yl)-4-nitro-1H-pyrazole?
The IUPAC name of 5-methyl-3-(3-methylpyrazol-1-yl)-4-nitro-1H-pyrazole (CID 762763) is 5-methyl-3-(3-methylpyrazol-1-yl)-4-nitro-1H-pyrazole.
What is the SMILES notation for 5-methyl-3-(3-methylpyrazol-1-yl)-4-nitro-1H-pyrazole?
The canonical SMILES for 5-methyl-3-(3-methylpyrazol-1-yl)-4-nitro-1H-pyrazole is Cc1ccn(-c2n[nH]c(C)c2[N+](=O)[O-])n1.
What is the InChIKey of 5-methyl-3-(3-methylpyrazol-1-yl)-4-nitro-1H-pyrazole?
The InChIKey is JVQQVKXTIHJKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O2/c1-5-3-4-12(11-5)8-7(13(14)15)6(2)9-10-8/h3-4H,1-2H3,(H,9,10).
What are the key properties of 5-methyl-3-(3-methylpyrazol-1-yl)-4-nitro-1H-pyrazole?
5-methyl-3-(3-methylpyrazol-1-yl)-4-nitro-1H-pyrazole has a molecular weight of 207.19 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(3-methylpyrazol-1-yl)-4-nitro-1H-pyrazole is sourced from PubChem (CID 762763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).