5-tert-butyl-1-methyl-3-(2-methylpropyl)pyrazole

C12H22N2 — CID 167374623

IUPAC5-tert-butyl-1-methyl-3-(2-methylpropyl)pyrazole
SMILESCC(C)Cc1cc(C(C)(C)C)n(C)n1
InChIInChI=1S/C12H22N2/c1-9(2)7-10-8-11(12(3,4)5)14(6)13-10/h8-9H,7H2,1-6H3
InChIKeyKQQHPUAORIHCDH-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.92
Rot. Bonds2

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

5-tert-butyl-1-methyl-3-(2-methylpropyl)pyrazole (PubChem CID 167374623) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 5-tert-butyl-1-methyl-3-(2-methylpropyl)pyrazole.

Molecular Properties

Compound Name5-tert-butyl-1-methyl-3-(2-methylpropyl)pyrazole
PubChem CID167374623
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name5-tert-butyl-1-methyl-3-(2-methylpropyl)pyrazole
SMILESCC(C)Cc1cc(C(C)(C)C)n(C)n1
InChIInChI=1S/C12H22N2/c1-9(2)7-10-8-11(12(3,4)5)14(6)13-10/h8-9H,7H2,1-6H3
InChIKeyKQQHPUAORIHCDH-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-methyl-3-(2-methylpropyl)pyrazole?
The IUPAC name of 5-tert-butyl-1-methyl-3-(2-methylpropyl)pyrazole (CID 167374623) is 5-tert-butyl-1-methyl-3-(2-methylpropyl)pyrazole.
What is the SMILES notation for 5-tert-butyl-1-methyl-3-(2-methylpropyl)pyrazole?
The canonical SMILES for 5-tert-butyl-1-methyl-3-(2-methylpropyl)pyrazole is CC(C)Cc1cc(C(C)(C)C)n(C)n1.
What is the InChIKey of 5-tert-butyl-1-methyl-3-(2-methylpropyl)pyrazole?
The InChIKey is KQQHPUAORIHCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-9(2)7-10-8-11(12(3,4)5)14(6)13-10/h8-9H,7H2,1-6H3.
What are the key properties of 5-tert-butyl-1-methyl-3-(2-methylpropyl)pyrazole?
5-tert-butyl-1-methyl-3-(2-methylpropyl)pyrazole has a molecular weight of 194.32 g/mol, XLogP of 2.92, 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-methylpropyl)pyrazole is sourced from PubChem (CID 167374623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).