3-ethyl-4,4-dimethyl-5-[2-(4,4,5-trimethylpyrazol-3-yl)ethyl]pyrazole

C15H24N4 — CID 139370669

IUPAC3-ethyl-4,4-dimethyl-5-[2-(4,4,5-trimethylpyrazol-3-yl)ethyl]pyrazole
SMILESCCC1=NN=C(CCC2=NN=C(C)C2(C)C)C1(C)C
InChIInChI=1S/C15H24N4/c1-7-11-15(5,6)13(19-17-11)9-8-12-14(3,4)10(2)16-18-12/h7-9H2,1-6H3
InChIKeyIQADJJXXYINLOK-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.87
Rot. Bonds4

About 3-ethyl-4,4-dimethyl-5-[2-(4,4,5-trimethylpyrazol-3-yl)ethyl]pyrazole

3-ethyl-4,4-dimethyl-5-[2-(4,4,5-trimethylpyrazol-3-yl)ethyl]pyrazole (PubChem CID 139370669) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-ethyl-4,4-dimethyl-5-[2-(4,4,5-trimethylpyrazol-3-yl)ethyl]pyrazole.

Molecular Properties

Compound Name3-ethyl-4,4-dimethyl-5-[2-(4,4,5-trimethylpyrazol-3-yl)ethyl]pyrazole
PubChem CID139370669
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name3-ethyl-4,4-dimethyl-5-[2-(4,4,5-trimethylpyrazol-3-yl)ethyl]pyrazole
SMILESCCC1=NN=C(CCC2=NN=C(C)C2(C)C)C1(C)C
InChIInChI=1S/C15H24N4/c1-7-11-15(5,6)13(19-17-11)9-8-12-14(3,4)10(2)16-18-12/h7-9H2,1-6H3
InChIKeyIQADJJXXYINLOK-UHFFFAOYSA-N
XLogP3.87
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4,4-dimethyl-5-[2-(4,4,5-trimethylpyrazol-3-yl)ethyl]pyrazole?
The IUPAC name of 3-ethyl-4,4-dimethyl-5-[2-(4,4,5-trimethylpyrazol-3-yl)ethyl]pyrazole (CID 139370669) is 3-ethyl-4,4-dimethyl-5-[2-(4,4,5-trimethylpyrazol-3-yl)ethyl]pyrazole.
What is the SMILES notation for 3-ethyl-4,4-dimethyl-5-[2-(4,4,5-trimethylpyrazol-3-yl)ethyl]pyrazole?
The canonical SMILES for 3-ethyl-4,4-dimethyl-5-[2-(4,4,5-trimethylpyrazol-3-yl)ethyl]pyrazole is CCC1=NN=C(CCC2=NN=C(C)C2(C)C)C1(C)C.
What is the InChIKey of 3-ethyl-4,4-dimethyl-5-[2-(4,4,5-trimethylpyrazol-3-yl)ethyl]pyrazole?
The InChIKey is IQADJJXXYINLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-7-11-15(5,6)13(19-17-11)9-8-12-14(3,4)10(2)16-18-12/h7-9H2,1-6H3.
What are the key properties of 3-ethyl-4,4-dimethyl-5-[2-(4,4,5-trimethylpyrazol-3-yl)ethyl]pyrazole?
3-ethyl-4,4-dimethyl-5-[2-(4,4,5-trimethylpyrazol-3-yl)ethyl]pyrazole has a molecular weight of 260.38 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4,4-dimethyl-5-[2-(4,4,5-trimethylpyrazol-3-yl)ethyl]pyrazole is sourced from PubChem (CID 139370669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).