5-tert-butyl-1-ethyl-4-methylpyrazole

C10H18N2 — CID 59146019

IUPAC5-tert-butyl-1-ethyl-4-methylpyrazole
SMILESCCn1ncc(C)c1C(C)(C)C
InChIInChI=1S/C10H18N2/c1-6-12-9(10(3,4)5)8(2)7-11-12/h7H,6H2,1-5H3
InChIKeyVBUFYHZMYYETPL-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.51
Rot. Bonds1

About 5-tert-butyl-1-ethyl-4-methylpyrazole

5-tert-butyl-1-ethyl-4-methylpyrazole (PubChem CID 59146019) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 5-tert-butyl-1-ethyl-4-methylpyrazole.

Molecular Properties

Compound Name5-tert-butyl-1-ethyl-4-methylpyrazole
PubChem CID59146019
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name5-tert-butyl-1-ethyl-4-methylpyrazole
SMILESCCn1ncc(C)c1C(C)(C)C
InChIInChI=1S/C10H18N2/c1-6-12-9(10(3,4)5)8(2)7-11-12/h7H,6H2,1-5H3
InChIKeyVBUFYHZMYYETPL-UHFFFAOYSA-N
XLogP2.51
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.51
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-ethyl-4-methylpyrazole?
The IUPAC name of 5-tert-butyl-1-ethyl-4-methylpyrazole (CID 59146019) is 5-tert-butyl-1-ethyl-4-methylpyrazole.
What is the SMILES notation for 5-tert-butyl-1-ethyl-4-methylpyrazole?
The canonical SMILES for 5-tert-butyl-1-ethyl-4-methylpyrazole is CCn1ncc(C)c1C(C)(C)C.
What is the InChIKey of 5-tert-butyl-1-ethyl-4-methylpyrazole?
The InChIKey is VBUFYHZMYYETPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-6-12-9(10(3,4)5)8(2)7-11-12/h7H,6H2,1-5H3.
What are the key properties of 5-tert-butyl-1-ethyl-4-methylpyrazole?
5-tert-butyl-1-ethyl-4-methylpyrazole has a molecular weight of 166.27 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-ethyl-4-methylpyrazole is sourced from PubChem (CID 59146019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).