1-(3,3-dimethylbutyl)-3,5-diethylpyrazole

C13H24N2 — CID 82698927

IUPAC1-(3,3-dimethylbutyl)-3,5-diethylpyrazole
SMILESCCc1cc(CC)n(CCC(C)(C)C)n1
InChIInChI=1S/C13H24N2/c1-6-11-10-12(7-2)15(14-11)9-8-13(3,4)5/h10H,6-9H2,1-5H3
InChIKeyNEZIQRGTWIUOHU-UHFFFAOYSA-N
MW208.35 g/mol
LogP3.44
Rot. Bonds4

About 1-(3,3-dimethylbutyl)-3,5-diethylpyrazole

1-(3,3-dimethylbutyl)-3,5-diethylpyrazole (PubChem CID 82698927) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 1-(3,3-dimethylbutyl)-3,5-diethylpyrazole.

Molecular Properties

Compound Name1-(3,3-dimethylbutyl)-3,5-diethylpyrazole
PubChem CID82698927
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name1-(3,3-dimethylbutyl)-3,5-diethylpyrazole
SMILESCCc1cc(CC)n(CCC(C)(C)C)n1
InChIInChI=1S/C13H24N2/c1-6-11-10-12(7-2)15(14-11)9-8-13(3,4)5/h10H,6-9H2,1-5H3
InChIKeyNEZIQRGTWIUOHU-UHFFFAOYSA-N
XLogP3.44
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-diethyl-1-propylpyrazole
CID 82699697
5-(3,5-diethylpyrazol-1-yl)-2,2-dimethylpentanenitrile
CID 82692715
3-(3,5-diethylpyrazol-1-yl)propan-1-ol
CID 82694262
methyl 4-(3,5-diethylpyrazol-1-yl)-2-methyl-2-(methylamino)butanoate
CID 82694955
3,5-diethyl-1-(2-propoxyethyl)pyrazole
CID 106458013
1-[2-(azetidin-3-yl)ethyl]-3,5-diethylpyrazole
CID 107391392
methyl 2-(cyclopropylamino)-4-(3,5-diethylpyrazol-1-yl)-2-methylbutanoate
CID 82699135
1-[(1,3-diethylpyrazol-5-yl)methyl]-3,5-diethylpyrazole
CID 82699372
5-(3,5-diethylpyrazol-1-yl)pentanoic acid
CID 82693000
1-(3-ethyl-1-methylpyrazol-5-yl)-5,5-dimethylhexan-2-amine
CID 114211654
3,5-diethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazole
CID 82699534
1-(5-chloro-3-methylpentyl)-3,5-diethylpyrazole
CID 82693006

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutyl)-3,5-diethylpyrazole?
The IUPAC name of 1-(3,3-dimethylbutyl)-3,5-diethylpyrazole (CID 82698927) is 1-(3,3-dimethylbutyl)-3,5-diethylpyrazole.
What is the SMILES notation for 1-(3,3-dimethylbutyl)-3,5-diethylpyrazole?
The canonical SMILES for 1-(3,3-dimethylbutyl)-3,5-diethylpyrazole is CCc1cc(CC)n(CCC(C)(C)C)n1.
What is the InChIKey of 1-(3,3-dimethylbutyl)-3,5-diethylpyrazole?
The InChIKey is NEZIQRGTWIUOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-6-11-10-12(7-2)15(14-11)9-8-13(3,4)5/h10H,6-9H2,1-5H3.
What are the key properties of 1-(3,3-dimethylbutyl)-3,5-diethylpyrazole?
1-(3,3-dimethylbutyl)-3,5-diethylpyrazole has a molecular weight of 208.35 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutyl)-3,5-diethylpyrazole is sourced from PubChem (CID 82698927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).