5-tert-butyl-3-ethyl-1-propan-2-ylpyrazole

C12H22N2 — CID 142320230

IUPAC5-tert-butyl-3-ethyl-1-propan-2-ylpyrazole
SMILESCCc1cc(C(C)(C)C)n(C(C)C)n1
InChIInChI=1S/C12H22N2/c1-7-10-8-11(12(4,5)6)14(13-10)9(2)3/h8-9H,7H2,1-6H3
InChIKeyZJBPLRBXQDQDKS-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.32
Rot. Bonds2

About 5-tert-butyl-3-ethyl-1-propan-2-ylpyrazole

5-tert-butyl-3-ethyl-1-propan-2-ylpyrazole (PubChem CID 142320230) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 5-tert-butyl-3-ethyl-1-propan-2-ylpyrazole.

Molecular Properties

Compound Name5-tert-butyl-3-ethyl-1-propan-2-ylpyrazole
PubChem CID142320230
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name5-tert-butyl-3-ethyl-1-propan-2-ylpyrazole
SMILESCCc1cc(C(C)(C)C)n(C(C)C)n1
InChIInChI=1S/C12H22N2/c1-7-10-8-11(12(4,5)6)14(13-10)9(2)3/h8-9H,7H2,1-6H3
InChIKeyZJBPLRBXQDQDKS-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-ethyl-1-propan-2-ylpyrazole?
The IUPAC name of 5-tert-butyl-3-ethyl-1-propan-2-ylpyrazole (CID 142320230) is 5-tert-butyl-3-ethyl-1-propan-2-ylpyrazole.
What is the SMILES notation for 5-tert-butyl-3-ethyl-1-propan-2-ylpyrazole?
The canonical SMILES for 5-tert-butyl-3-ethyl-1-propan-2-ylpyrazole is CCc1cc(C(C)(C)C)n(C(C)C)n1.
What is the InChIKey of 5-tert-butyl-3-ethyl-1-propan-2-ylpyrazole?
The InChIKey is ZJBPLRBXQDQDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-7-10-8-11(12(4,5)6)14(13-10)9(2)3/h8-9H,7H2,1-6H3.
What are the key properties of 5-tert-butyl-3-ethyl-1-propan-2-ylpyrazole?
5-tert-butyl-3-ethyl-1-propan-2-ylpyrazole has a molecular weight of 194.32 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-ethyl-1-propan-2-ylpyrazole is sourced from PubChem (CID 142320230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).