1-ethyl-3-(2-nitrophenyl)pyrazole

C11H11N3O2 — CID 22493260

IUPAC1-ethyl-3-(2-nitrophenyl)pyrazole
SMILESCCn1ccc(-c2ccccc2[N+](=O)[O-])n1
InChIInChI=1S/C11H11N3O2/c1-2-13-8-7-10(12-13)9-5-3-4-6-11(9)14(15)16/h3-8H,2H2,1H3
InChIKeyHUKNOSPNCZWMOK-UHFFFAOYSA-N
MW217.23 g/mol
LogP2.48
Rot. Bonds3

About 1-ethyl-3-(2-nitrophenyl)pyrazole

1-ethyl-3-(2-nitrophenyl)pyrazole (PubChem CID 22493260) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 1-ethyl-3-(2-nitrophenyl)pyrazole.

Molecular Properties

Compound Name1-ethyl-3-(2-nitrophenyl)pyrazole
PubChem CID22493260
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name1-ethyl-3-(2-nitrophenyl)pyrazole
SMILESCCn1ccc(-c2ccccc2[N+](=O)[O-])n1
InChIInChI=1S/C11H11N3O2/c1-2-13-8-7-10(12-13)9-5-3-4-6-11(9)14(15)16/h3-8H,2H2,1H3
InChIKeyHUKNOSPNCZWMOK-UHFFFAOYSA-N
XLogP2.48
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

N-(1-ethylpyrazol-3-yl)-2-nitrobenzenesulfonamide
CID 22209192
1-ethyl-5-(2-nitrophenyl)-1,2,4-triazole
CID 22493427
6-(2-nitrophenyl)-N-propylpyridazin-3-amine
CID 62203904
2-ethyl-5-(2-nitrophenyl)-1,3,4-thiadiazole
CID 66942360
1-ethyl-3-(1-methylpyrazol-3-yl)pyrazole
CID 175388618
5-bromo-1-ethyl-3-(2-nitrophenyl)pyrazole-4-carbaldehyde
CID 87404717
3-bromo-1-[(1-ethylpyrazol-3-yl)methyl]-4-nitroindazole
CID 67261156
1-(2-nitrophenoxy)-3-(3-phenylpyrazol-1-yl)propan-2-ol
CID 141127289
3-(5-bromo-2-nitrophenyl)-1-[(3-fluorophenyl)methyl]pyrazole
CID 169043530
2-[3-(1-ethylpyrazol-3-yl)-2-(4-nitrophenyl)-3,4-dihydropyrazol-5-yl]phenol
CID 135633348
1-[4-(2-nitrophenyl)-1,3-thiazol-2-yl]propan-1-amine
CID 61338780
4-(2-nitrophenyl)-N-propyl-1,3-thiazol-2-amine
CID 62942170

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-nitrophenyl)pyrazole?
The IUPAC name of 1-ethyl-3-(2-nitrophenyl)pyrazole (CID 22493260) is 1-ethyl-3-(2-nitrophenyl)pyrazole.
What is the SMILES notation for 1-ethyl-3-(2-nitrophenyl)pyrazole?
The canonical SMILES for 1-ethyl-3-(2-nitrophenyl)pyrazole is CCn1ccc(-c2ccccc2[N+](=O)[O-])n1.
What is the InChIKey of 1-ethyl-3-(2-nitrophenyl)pyrazole?
The InChIKey is HUKNOSPNCZWMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-2-13-8-7-10(12-13)9-5-3-4-6-11(9)14(15)16/h3-8H,2H2,1H3.
What are the key properties of 1-ethyl-3-(2-nitrophenyl)pyrazole?
1-ethyl-3-(2-nitrophenyl)pyrazole has a molecular weight of 217.23 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-nitrophenyl)pyrazole is sourced from PubChem (CID 22493260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).