4-tert-butyl-1,3-dimethylpyrazole;ethane

C11H22N2 — CID 144507341

IUPAC4-tert-butyl-1,3-dimethylpyrazole;ethane
SMILESCC.Cc1nn(C)cc1C(C)(C)C
InChIInChI=1S/C9H16N2.C2H6/c1-7-8(9(2,3)4)6-11(5)10-7;1-2/h6H,1-5H3;1-2H3
InChIKeyUMOPNMAYJFFKNE-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.05
Rot. Bonds

About 4-tert-butyl-1,3-dimethylpyrazole;ethane

4-tert-butyl-1,3-dimethylpyrazole;ethane (PubChem CID 144507341) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 4-tert-butyl-1,3-dimethylpyrazole;ethane.

Molecular Properties

Compound Name4-tert-butyl-1,3-dimethylpyrazole;ethane
PubChem CID144507341
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name4-tert-butyl-1,3-dimethylpyrazole;ethane
SMILESCC.Cc1nn(C)cc1C(C)(C)C
InChIInChI=1S/C9H16N2.C2H6/c1-7-8(9(2,3)4)6-11(5)10-7;1-2/h6H,1-5H3;1-2H3
InChIKeyUMOPNMAYJFFKNE-UHFFFAOYSA-N
XLogP3.05
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-3,5-dimethyl-1,2-oxazole;4-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-1-methylpyrazole
CID 162158293
3-(1,3-dimethylpyrazol-4-yl)-3-hydroxybutanoic acid
CID 82398437
4-tert-butyl-3-ethenyl-1-methylpyrazole
CID 59860427
ethyl (2R)-2-amino-2-(1,3-dimethylpyrazol-4-yl)propanoate
CID 125482052
4-bromo-1,3-dimethylpyrazole
CID 12615416
4-tert-butyl-3-(1-fluoropropyl)-1-methylpyrazole
CID 123719398
[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]azanium
CID 7019316
N-[2-(1,3-dimethylpyrazol-4-yl)ethyl]-2,2-dimethylpropan-1-amine
CID 115751852
(1,3-dimethylpyrazol-4-yl)methanamine;hydrate;hydrochloride
CID 86812145
1,3-dimethylpyrazole-4-carboxylic acid;ethane
CID 142969611
1-(1,3-dimethylpyrazol-4-yl)-2,2-difluoropropan-1-one
CID 130634206
(4-tert-butylphenyl)-(1,3-dimethylpyrazol-4-yl)methanol
CID 83092098

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1,3-dimethylpyrazole;ethane?
The IUPAC name of 4-tert-butyl-1,3-dimethylpyrazole;ethane (CID 144507341) is 4-tert-butyl-1,3-dimethylpyrazole;ethane.
What is the SMILES notation for 4-tert-butyl-1,3-dimethylpyrazole;ethane?
The canonical SMILES for 4-tert-butyl-1,3-dimethylpyrazole;ethane is CC.Cc1nn(C)cc1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-1,3-dimethylpyrazole;ethane?
The InChIKey is UMOPNMAYJFFKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2.C2H6/c1-7-8(9(2,3)4)6-11(5)10-7;1-2/h6H,1-5H3;1-2H3.
What are the key properties of 4-tert-butyl-1,3-dimethylpyrazole;ethane?
4-tert-butyl-1,3-dimethylpyrazole;ethane has a molecular weight of 182.31 g/mol, XLogP of 3.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1,3-dimethylpyrazole;ethane is sourced from PubChem (CID 144507341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).