3-tert-butyl-5-ethyl-1,2-dimethyl-3H-pyrazole

C11H22N2 — CID 123842943

IUPAC3-tert-butyl-5-ethyl-1,2-dimethyl-3H-pyrazole
SMILESCCC1=CC(C(C)(C)C)N(C)N1C
InChIInChI=1S/C11H22N2/c1-7-9-8-10(11(2,3)4)13(6)12(9)5/h8,10H,7H2,1-6H3
InChIKeyQPBPCFVCAZWSRF-UHFFFAOYSA-N
MW182.31 g/mol
LogP2.49
Rot. Bonds1

About 3-tert-butyl-5-ethyl-1,2-dimethyl-3H-pyrazole

3-tert-butyl-5-ethyl-1,2-dimethyl-3H-pyrazole (PubChem CID 123842943) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 3-tert-butyl-5-ethyl-1,2-dimethyl-3H-pyrazole.

Molecular Properties

Compound Name3-tert-butyl-5-ethyl-1,2-dimethyl-3H-pyrazole
PubChem CID123842943
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name3-tert-butyl-5-ethyl-1,2-dimethyl-3H-pyrazole
SMILESCCC1=CC(C(C)(C)C)N(C)N1C
InChIInChI=1S/C11H22N2/c1-7-9-8-10(11(2,3)4)13(6)12(9)5/h8,10H,7H2,1-6H3
InChIKeyQPBPCFVCAZWSRF-UHFFFAOYSA-N
XLogP2.49
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-tert-butyl-5-ethyl-1,2-dimethyl-3H-pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-ethyl-1,2-dimethyl-3H-pyrazole?
The IUPAC name of 3-tert-butyl-5-ethyl-1,2-dimethyl-3H-pyrazole (CID 123842943) is 3-tert-butyl-5-ethyl-1,2-dimethyl-3H-pyrazole.
What is the SMILES notation for 3-tert-butyl-5-ethyl-1,2-dimethyl-3H-pyrazole?
The canonical SMILES for 3-tert-butyl-5-ethyl-1,2-dimethyl-3H-pyrazole is CCC1=CC(C(C)(C)C)N(C)N1C.
What is the InChIKey of 3-tert-butyl-5-ethyl-1,2-dimethyl-3H-pyrazole?
The InChIKey is QPBPCFVCAZWSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-7-9-8-10(11(2,3)4)13(6)12(9)5/h8,10H,7H2,1-6H3.
What are the key properties of 3-tert-butyl-5-ethyl-1,2-dimethyl-3H-pyrazole?
3-tert-butyl-5-ethyl-1,2-dimethyl-3H-pyrazole has a molecular weight of 182.31 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-ethyl-1,2-dimethyl-3H-pyrazole is sourced from PubChem (CID 123842943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).