5-tert-butyl-1,4-diethyl-3-methylpyrazole

C12H22N2 — CID 58720051

IUPAC5-tert-butyl-1,4-diethyl-3-methylpyrazole
SMILESCCc1c(C)nn(CC)c1C(C)(C)C
InChIInChI=1S/C12H22N2/c1-7-10-9(3)13-14(8-2)11(10)12(4,5)6/h7-8H2,1-6H3
InChIKeyUULVJTHRBGOXQG-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.07
Rot. Bonds2

About 5-tert-butyl-1,4-diethyl-3-methylpyrazole

5-tert-butyl-1,4-diethyl-3-methylpyrazole (PubChem CID 58720051) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 5-tert-butyl-1,4-diethyl-3-methylpyrazole.

Molecular Properties

Compound Name5-tert-butyl-1,4-diethyl-3-methylpyrazole
PubChem CID58720051
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name5-tert-butyl-1,4-diethyl-3-methylpyrazole
SMILESCCc1c(C)nn(CC)c1C(C)(C)C
InChIInChI=1S/C12H22N2/c1-7-10-9(3)13-14(8-2)11(10)12(4,5)6/h7-8H2,1-6H3
InChIKeyUULVJTHRBGOXQG-UHFFFAOYSA-N
XLogP3.07
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methyl-3,5-di-t-butylpyrazole
CID 145635
1,3,4,5-Tetramethyl-1H-pyrazole
CID 579642
(1,3,5-trimethyl-1H-pyrazol-4-yl)methylamine
CID 2776430
[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl](methyl)amine
CID 7022224
3-(trimethyl-1H-pyrazol-4-yl)propan-1-amine
CID 6492154
(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methanamine
CID 16394814
4-[2-(1,3,5-Trimethylpyrazol-4-yl)pyrrolidin-1-yl]butanenitrile
CID 72141649
1,4-Dimethyl-3,5-di-t-butylpyrazole
CID 145636
Cambridge id 6066293
CID 5347470
2-(3,4,5-Trimethylpyrazol-1-yl)propan-1-amine
CID 6492579
3,5-Ditert-butyl-1-propan-2-ylpyrazole
CID 2742034
N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 23005746

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1,4-diethyl-3-methylpyrazole?
The IUPAC name of 5-tert-butyl-1,4-diethyl-3-methylpyrazole (CID 58720051) is 5-tert-butyl-1,4-diethyl-3-methylpyrazole.
What is the SMILES notation for 5-tert-butyl-1,4-diethyl-3-methylpyrazole?
The canonical SMILES for 5-tert-butyl-1,4-diethyl-3-methylpyrazole is CCc1c(C)nn(CC)c1C(C)(C)C.
What is the InChIKey of 5-tert-butyl-1,4-diethyl-3-methylpyrazole?
The InChIKey is UULVJTHRBGOXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-7-10-9(3)13-14(8-2)11(10)12(4,5)6/h7-8H2,1-6H3.
What are the key properties of 5-tert-butyl-1,4-diethyl-3-methylpyrazole?
5-tert-butyl-1,4-diethyl-3-methylpyrazole has a molecular weight of 194.32 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1,4-diethyl-3-methylpyrazole is sourced from PubChem (CID 58720051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).