3-ethyl-1-methyl-5-(2-methylimidazol-1-yl)-4-nitropyrazole

C10H13N5O2 — CID 66015700

IUPAC3-ethyl-1-methyl-5-(2-methylimidazol-1-yl)-4-nitropyrazole
SMILESCCc1nn(C)c(-n2ccnc2C)c1[N+](=O)[O-]
InChIInChI=1S/C10H13N5O2/c1-4-8-9(15(16)17)10(13(3)12-8)14-6-5-11-7(14)2/h5-6H,4H2,1-3H3
InChIKeyGUZUKWUDVHRDJM-UHFFFAOYSA-N
MW235.25 g/mol
LogP1.38
Rot. Bonds3

About 3-ethyl-1-methyl-5-(2-methylimidazol-1-yl)-4-nitropyrazole

3-ethyl-1-methyl-5-(2-methylimidazol-1-yl)-4-nitropyrazole (PubChem CID 66015700) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is 3-ethyl-1-methyl-5-(2-methylimidazol-1-yl)-4-nitropyrazole.

Molecular Properties

Compound Name3-ethyl-1-methyl-5-(2-methylimidazol-1-yl)-4-nitropyrazole
PubChem CID66015700
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name3-ethyl-1-methyl-5-(2-methylimidazol-1-yl)-4-nitropyrazole
SMILESCCc1nn(C)c(-n2ccnc2C)c1[N+](=O)[O-]
InChIInChI=1S/C10H13N5O2/c1-4-8-9(15(16)17)10(13(3)12-8)14-6-5-11-7(14)2/h5-6H,4H2,1-3H3
InChIKeyGUZUKWUDVHRDJM-UHFFFAOYSA-N
XLogP1.38
TPSA78.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 51.38
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

3-ethyl-1-methyl-4-nitro-5-(2-propylimidazol-1-yl)pyrazole
CID 66015885
1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)azepane
CID 133423341
3-ethyl-N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-1-methyl-4-nitropyrazol-5-amine
CID 133441220
3-ethyl-1,5-dimethyl-4-nitropyrazole
CID 89037224
1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-4-(1H-pyrazol-5-yl)piperidine
CID 133441340
1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-4-(2-nitrophenyl)piperazine
CID 133423532
3-[[4-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 133440566
2-[1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperidin-4-yl]ethanamine
CID 66016624
3-ethyl-N,N,1-trimethyl-4-nitropyrazol-5-amine
CID 130557668
5-(2-chloroethylsulfonyl)-3-ethyl-1-methyl-4-nitropyrazole
CID 66014218
6-(2-methylimidazol-1-yl)-5-nitro-N-propylpyrimidin-4-amine
CID 80852878
2-[1-(1-methyl-4-nitro-3-propan-2-ylpyrazol-5-yl)imidazol-2-yl]ethanamine
CID 66011364

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-5-(2-methylimidazol-1-yl)-4-nitropyrazole?
The IUPAC name of 3-ethyl-1-methyl-5-(2-methylimidazol-1-yl)-4-nitropyrazole (CID 66015700) is 3-ethyl-1-methyl-5-(2-methylimidazol-1-yl)-4-nitropyrazole.
What is the SMILES notation for 3-ethyl-1-methyl-5-(2-methylimidazol-1-yl)-4-nitropyrazole?
The canonical SMILES for 3-ethyl-1-methyl-5-(2-methylimidazol-1-yl)-4-nitropyrazole is CCc1nn(C)c(-n2ccnc2C)c1[N+](=O)[O-].
What is the InChIKey of 3-ethyl-1-methyl-5-(2-methylimidazol-1-yl)-4-nitropyrazole?
The InChIKey is GUZUKWUDVHRDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c1-4-8-9(15(16)17)10(13(3)12-8)14-6-5-11-7(14)2/h5-6H,4H2,1-3H3.
What are the key properties of 3-ethyl-1-methyl-5-(2-methylimidazol-1-yl)-4-nitropyrazole?
3-ethyl-1-methyl-5-(2-methylimidazol-1-yl)-4-nitropyrazole has a molecular weight of 235.25 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-5-(2-methylimidazol-1-yl)-4-nitropyrazole is sourced from PubChem (CID 66015700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).