5-tert-butyl-1-methyl-3-(2-methylbutan-2-yl)pyrazole

C13H24N2 — CID 170573347

IUPAC5-tert-butyl-1-methyl-3-(2-methylbutan-2-yl)pyrazole
SMILESCCC(C)(C)c1cc(C(C)(C)C)n(C)n1
InChIInChI=1S/C13H24N2/c1-8-13(5,6)10-9-11(12(2,3)4)15(7)14-10/h9H,8H2,1-7H3
InChIKeyLHGNCYUFJRGVPQ-UHFFFAOYSA-N
MW208.35 g/mol
LogP3.41
Rot. Bonds2

About 5-tert-butyl-1-methyl-3-(2-methylbutan-2-yl)pyrazole

5-tert-butyl-1-methyl-3-(2-methylbutan-2-yl)pyrazole (PubChem CID 170573347) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 5-tert-butyl-1-methyl-3-(2-methylbutan-2-yl)pyrazole.

Molecular Properties

Compound Name5-tert-butyl-1-methyl-3-(2-methylbutan-2-yl)pyrazole
PubChem CID170573347
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name5-tert-butyl-1-methyl-3-(2-methylbutan-2-yl)pyrazole
SMILESCCC(C)(C)c1cc(C(C)(C)C)n(C)n1
InChIInChI=1S/C13H24N2/c1-8-13(5,6)10-9-11(12(2,3)4)15(7)14-10/h9H,8H2,1-7H3
InChIKeyLHGNCYUFJRGVPQ-UHFFFAOYSA-N
XLogP3.41
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-5-(2-methylbutan-2-yl)pyrazol-3-amine
CID 123813361
5-tert-butyl-3-chloro-1-methylpyrazole
CID 84654525
5-tert-butyl-3-fluoro-1-methylpyrazole
CID 146376811
(5-tert-butyl-1-methylpyrazol-3-yl)-trimethylsilane
CID 155787917
5-tert-butyl-1-methyl-3-(2-methylpropyl)pyrazole
CID 167374623
(3-tert-butyl-1-methylpyrazol-5-yl)methanamine
CID 66644048
3-(difluoromethylsulfanyl)-1-methyl-5-(2-methylbutan-2-yl)pyrazole
CID 129092914
2-(5-tert-butyl-1-methylpyrazol-3-yl)acetic acid
CID 83831200
2-(3-tert-butyl-1-methylpyrazol-5-yl)acetaldehyde
CID 83828239
5-bromo-3-tert-butyl-1-methylpyrazole
CID 77231419
4-(5-tert-butyl-1-methylpyrazol-3-yl)thiadiazole
CID 155787852
5-(1-fluoro-2-methylpropan-2-yl)-1,3-dimethylpyrazole
CID 135170466

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-methyl-3-(2-methylbutan-2-yl)pyrazole?
The IUPAC name of 5-tert-butyl-1-methyl-3-(2-methylbutan-2-yl)pyrazole (CID 170573347) is 5-tert-butyl-1-methyl-3-(2-methylbutan-2-yl)pyrazole.
What is the SMILES notation for 5-tert-butyl-1-methyl-3-(2-methylbutan-2-yl)pyrazole?
The canonical SMILES for 5-tert-butyl-1-methyl-3-(2-methylbutan-2-yl)pyrazole is CCC(C)(C)c1cc(C(C)(C)C)n(C)n1.
What is the InChIKey of 5-tert-butyl-1-methyl-3-(2-methylbutan-2-yl)pyrazole?
The InChIKey is LHGNCYUFJRGVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-8-13(5,6)10-9-11(12(2,3)4)15(7)14-10/h9H,8H2,1-7H3.
What are the key properties of 5-tert-butyl-1-methyl-3-(2-methylbutan-2-yl)pyrazole?
5-tert-butyl-1-methyl-3-(2-methylbutan-2-yl)pyrazole has a molecular weight of 208.35 g/mol, XLogP of 3.41, 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-methyl-3-(2-methylbutan-2-yl)pyrazole is sourced from PubChem (CID 170573347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).