5-(3,5-diethylpyrazol-1-yl)-1,2,3,4-tetrahydroquinoline

C16H21N3 — CID 82693965

IUPAC5-(3,5-diethylpyrazol-1-yl)-1,2,3,4-tetrahydroquinoline
SMILESCCc1cc(CC)n(-c2cccc3c2CCCN3)n1
InChIInChI=1S/C16H21N3/c1-3-12-11-13(4-2)19(18-12)16-9-5-8-15-14(16)7-6-10-17-15/h5,8-9,11,17H,3-4,6-7,10H2,1-2H3
InChIKeyXLROTQNNTISGII-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.36
Rot. Bonds3

About 5-(3,5-diethylpyrazol-1-yl)-1,2,3,4-tetrahydroquinoline

5-(3,5-diethylpyrazol-1-yl)-1,2,3,4-tetrahydroquinoline (PubChem CID 82693965) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 5-(3,5-diethylpyrazol-1-yl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name5-(3,5-diethylpyrazol-1-yl)-1,2,3,4-tetrahydroquinoline
PubChem CID82693965
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name5-(3,5-diethylpyrazol-1-yl)-1,2,3,4-tetrahydroquinoline
SMILESCCc1cc(CC)n(-c2cccc3c2CCCN3)n1
InChIInChI=1S/C16H21N3/c1-3-12-11-13(4-2)19(18-12)16-9-5-8-15-14(16)7-6-10-17-15/h5,8-9,11,17H,3-4,6-7,10H2,1-2H3
InChIKeyXLROTQNNTISGII-UHFFFAOYSA-N
XLogP3.36
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3,5-dimethylpyrazol-1-yl)-1,2,3,4-tetrahydroquinoline
CID 81224139
5-(2-ethylimidazol-1-yl)-1,2,3,4-tetrahydroquinoline
CID 81224764
5-(4,4-dimethylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline
CID 81214740
1-(4,5-dihydro-1H-imidazol-2-yl)-3,5-diethylpyrazole
CID 3332278
5-(4-butan-2-ylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline
CID 81215390
3,4-dimethyl-1-(1,2,3,4-tetrahydroquinolin-5-yl)pyrrolidine-2,5-dione
CID 103500228
3,6-ditert-butyl-9-(1,2,3,4-tetrahydroquinolin-5-yl)carbazole
CID 166589169
5-(4-propan-2-ylazepan-1-yl)-1,2,3,4-tetrahydroquinoline
CID 81215404
2,6-dimethyl-4-(1,2,3,4-tetrahydroquinolin-5-yl)morpholine
CID 81215266
5-(4-methoxypyrazol-1-yl)-1,2,3,4-tetrahydroquinoline
CID 114274259
1-[2-(3,5-diethylpyrazol-1-yl)phenyl]ethanamine
CID 82694023
(1R)-1-[2-(3,5-diethylpyrazol-1-yl)phenyl]ethanol
CID 82694027

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-diethylpyrazol-1-yl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 5-(3,5-diethylpyrazol-1-yl)-1,2,3,4-tetrahydroquinoline (CID 82693965) is 5-(3,5-diethylpyrazol-1-yl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 5-(3,5-diethylpyrazol-1-yl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 5-(3,5-diethylpyrazol-1-yl)-1,2,3,4-tetrahydroquinoline is CCc1cc(CC)n(-c2cccc3c2CCCN3)n1.
What is the InChIKey of 5-(3,5-diethylpyrazol-1-yl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is XLROTQNNTISGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-3-12-11-13(4-2)19(18-12)16-9-5-8-15-14(16)7-6-10-17-15/h5,8-9,11,17H,3-4,6-7,10H2,1-2H3.
What are the key properties of 5-(3,5-diethylpyrazol-1-yl)-1,2,3,4-tetrahydroquinoline?
5-(3,5-diethylpyrazol-1-yl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 255.36 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-diethylpyrazol-1-yl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 82693965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).