3,5-diethyl-1-[2-(2-nitrophenyl)ethyl]pyrazole

C15H19N3O2 — CID 82700258

IUPAC3,5-diethyl-1-[2-(2-nitrophenyl)ethyl]pyrazole
SMILESCCc1cc(CC)n(CCc2ccccc2[N+](=O)[O-])n1
InChIInChI=1S/C15H19N3O2/c1-3-13-11-14(4-2)17(16-13)10-9-12-7-5-6-8-15(12)18(19)20/h5-8,11H,3-4,9-10H2,1-2H3
InChIKeyNJSGTQSXPPAOCS-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.16
Rot. Bonds6

About 3,5-diethyl-1-[2-(2-nitrophenyl)ethyl]pyrazole

3,5-diethyl-1-[2-(2-nitrophenyl)ethyl]pyrazole (PubChem CID 82700258) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3,5-diethyl-1-[2-(2-nitrophenyl)ethyl]pyrazole.

Molecular Properties

Compound Name3,5-diethyl-1-[2-(2-nitrophenyl)ethyl]pyrazole
PubChem CID82700258
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3,5-diethyl-1-[2-(2-nitrophenyl)ethyl]pyrazole
SMILESCCc1cc(CC)n(CCc2ccccc2[N+](=O)[O-])n1
InChIInChI=1S/C15H19N3O2/c1-3-13-11-14(4-2)17(16-13)10-9-12-7-5-6-8-15(12)18(19)20/h5-8,11H,3-4,9-10H2,1-2H3
InChIKeyNJSGTQSXPPAOCS-UHFFFAOYSA-N
XLogP3.16
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.16
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

1-[(4-bromo-3-nitrophenyl)methyl]-3,5-diethylpyrazole
CID 82693026
6-chloro-2-ethyl-3-[2-(2-nitrophenyl)ethyl]pyrimidin-4-one
CID 114584324
1-[2-(2-nitrophenyl)ethyl]imidazole
CID 63811296
1-[2-(2-nitrophenyl)ethyl]-6-oxopyridazine-3-carboxylic acid
CID 114696008
ethyl 1-[2-(2-nitrophenyl)ethyl]tetrazole-5-carboxylate
CID 79309794
1-[1-[2-(2-nitrophenyl)ethyl]pyrrol-2-yl]ethanone
CID 79106811
1-[1-[2-(2-nitrophenyl)ethyl]pyrazol-4-yl]ethanone
CID 63064038
3,5-diethyl-1-(2-fluoro-5-methoxy-4-nitrophenyl)pyrazole
CID 107260689
1-[1-[2-(2-nitrophenyl)ethyl]pyrrol-2-yl]butan-2-amine
CID 66403859
3-[2-[(3,5-diethylpyrazol-1-yl)methyl]phenyl]prop-2-yn-1-ol
CID 82694487
3-(3,5-diethylpyrazol-1-yl)propan-1-ol
CID 82694262
1-ethyl-2-nitrobenzene;(2-nitrophenyl)methanesulfonyl chloride
CID 160906769

Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-1-[2-(2-nitrophenyl)ethyl]pyrazole?
The IUPAC name of 3,5-diethyl-1-[2-(2-nitrophenyl)ethyl]pyrazole (CID 82700258) is 3,5-diethyl-1-[2-(2-nitrophenyl)ethyl]pyrazole.
What is the SMILES notation for 3,5-diethyl-1-[2-(2-nitrophenyl)ethyl]pyrazole?
The canonical SMILES for 3,5-diethyl-1-[2-(2-nitrophenyl)ethyl]pyrazole is CCc1cc(CC)n(CCc2ccccc2[N+](=O)[O-])n1.
What is the InChIKey of 3,5-diethyl-1-[2-(2-nitrophenyl)ethyl]pyrazole?
The InChIKey is NJSGTQSXPPAOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-3-13-11-14(4-2)17(16-13)10-9-12-7-5-6-8-15(12)18(19)20/h5-8,11H,3-4,9-10H2,1-2H3.
What are the key properties of 3,5-diethyl-1-[2-(2-nitrophenyl)ethyl]pyrazole?
3,5-diethyl-1-[2-(2-nitrophenyl)ethyl]pyrazole has a molecular weight of 273.34 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-1-[2-(2-nitrophenyl)ethyl]pyrazole is sourced from PubChem (CID 82700258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).