3-tert-butyl-1,2-dimethyl-5-methylidenepyrazole

C10H18N2 — CID 58268878

IUPAC3-tert-butyl-1,2-dimethyl-5-methylidenepyrazole
SMILESC=C1C=C(C(C)(C)C)N(C)N1C
InChIInChI=1S/C10H18N2/c1-8-7-9(10(2,3)4)12(6)11(8)5/h7H,1H2,2-6H3
InChIKeyRUQLWAAUDBCGHU-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.22
Rot. Bonds

About 3-tert-butyl-1,2-dimethyl-5-methylidenepyrazole

3-tert-butyl-1,2-dimethyl-5-methylidenepyrazole (PubChem CID 58268878) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 3-tert-butyl-1,2-dimethyl-5-methylidenepyrazole.

Molecular Properties

Compound Name3-tert-butyl-1,2-dimethyl-5-methylidenepyrazole
PubChem CID58268878
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name3-tert-butyl-1,2-dimethyl-5-methylidenepyrazole
SMILESC=C1C=C(C(C)(C)C)N(C)N1C
InChIInChI=1S/C10H18N2/c1-8-7-9(10(2,3)4)12(6)11(8)5/h7H,1H2,2-6H3
InChIKeyRUQLWAAUDBCGHU-UHFFFAOYSA-N
XLogP2.22
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1,2-dimethyl-5-methylidenepyrazole?
The IUPAC name of 3-tert-butyl-1,2-dimethyl-5-methylidenepyrazole (CID 58268878) is 3-tert-butyl-1,2-dimethyl-5-methylidenepyrazole.
What is the SMILES notation for 3-tert-butyl-1,2-dimethyl-5-methylidenepyrazole?
The canonical SMILES for 3-tert-butyl-1,2-dimethyl-5-methylidenepyrazole is C=C1C=C(C(C)(C)C)N(C)N1C.
What is the InChIKey of 3-tert-butyl-1,2-dimethyl-5-methylidenepyrazole?
The InChIKey is RUQLWAAUDBCGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-8-7-9(10(2,3)4)12(6)11(8)5/h7H,1H2,2-6H3.
What are the key properties of 3-tert-butyl-1,2-dimethyl-5-methylidenepyrazole?
3-tert-butyl-1,2-dimethyl-5-methylidenepyrazole has a molecular weight of 166.27 g/mol, XLogP of 2.22, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1,2-dimethyl-5-methylidenepyrazole is sourced from PubChem (CID 58268878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).