5-tert-butyl-1,3,4-triethylpyrazole

C13H24N2 — CID 58720054

IUPAC5-tert-butyl-1,3,4-triethylpyrazole
SMILESCCc1nn(CC)c(C(C)(C)C)c1CC
InChIInChI=1S/C13H24N2/c1-7-10-11(8-2)14-15(9-3)12(10)13(4,5)6/h7-9H2,1-6H3
InChIKeyJUDNBPROHMDYKH-UHFFFAOYSA-N
MW208.35 g/mol
LogP3.33
Rot. Bonds3

About 5-tert-butyl-1,3,4-triethylpyrazole

5-tert-butyl-1,3,4-triethylpyrazole (PubChem CID 58720054) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 5-tert-butyl-1,3,4-triethylpyrazole.

Molecular Properties

Compound Name5-tert-butyl-1,3,4-triethylpyrazole
PubChem CID58720054
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name5-tert-butyl-1,3,4-triethylpyrazole
SMILESCCc1nn(CC)c(C(C)(C)C)c1CC
InChIInChI=1S/C13H24N2/c1-7-10-11(8-2)14-15(9-3)12(10)13(4,5)6/h7-9H2,1-6H3
InChIKeyJUDNBPROHMDYKH-UHFFFAOYSA-N
XLogP3.33
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-tert-butyl-1,4-diethyl-3-methylpyrazole
CID 58720051
(1,3-diethyl-5-methoxypyrazol-4-yl)methanol
CID 117124459
N-[(1,3,5-triethylpyrazol-4-yl)methyl]propan-2-amine
CID 82698359
4-bromo-5-[3-chloro-2-(chloromethyl)-2-methylpropyl]-1,3-diethylpyrazole
CID 79448216
5-tert-butyl-1-ethyl-4-methylpyrazole
CID 59146019
3-(4-chloro-1,3-diethylpyrazol-5-yl)-2,2-dimethylpropan-1-ol
CID 66026711
4,5-diethyl-2-methylpyrazol-3-amine;hydrate
CID 47000727
5-chloro-3,4-diethyl-1-methylpyrazole
CID 142045538
(2R,6S)-4-[2-(4,5-ditert-butyl-3-ethylpyrazol-1-yl)ethyl]-2,6-dimethylmorpholine
CID 154613485
N-[[3,5-diethyl-1-(2-fluoroethyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 82697645
4-chloro-5-[2-(chloromethyl)-2,3-dimethylbutyl]-1,3-diethylpyrazole
CID 83152816
5-tert-butyl-1-ethyl-4-fluoro-3-methylpyrazole;5-tert-butyl-1-ethyl-3-methylpyrazole
CID 165024911

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1,3,4-triethylpyrazole?
The IUPAC name of 5-tert-butyl-1,3,4-triethylpyrazole (CID 58720054) is 5-tert-butyl-1,3,4-triethylpyrazole.
What is the SMILES notation for 5-tert-butyl-1,3,4-triethylpyrazole?
The canonical SMILES for 5-tert-butyl-1,3,4-triethylpyrazole is CCc1nn(CC)c(C(C)(C)C)c1CC.
What is the InChIKey of 5-tert-butyl-1,3,4-triethylpyrazole?
The InChIKey is JUDNBPROHMDYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-7-10-11(8-2)14-15(9-3)12(10)13(4,5)6/h7-9H2,1-6H3.
What are the key properties of 5-tert-butyl-1,3,4-triethylpyrazole?
5-tert-butyl-1,3,4-triethylpyrazole has a molecular weight of 208.35 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1,3,4-triethylpyrazole is sourced from PubChem (CID 58720054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).