4,4-diethyl-3,5-dimethylpyrazole

C9H16N2 — CID 12611772

IUPAC4,4-diethyl-3,5-dimethylpyrazole
SMILESCCC1(CC)C(C)=NN=C1C
InChIInChI=1S/C9H16N2/c1-5-9(6-2)7(3)10-11-8(9)4/h5-6H2,1-4H3
InChIKeySCWNHJNPFNEMSU-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.64
Rot. Bonds2

About 4,4-diethyl-3,5-dimethylpyrazole

4,4-diethyl-3,5-dimethylpyrazole (PubChem CID 12611772) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 4,4-diethyl-3,5-dimethylpyrazole.

Molecular Properties

Compound Name4,4-diethyl-3,5-dimethylpyrazole
PubChem CID12611772
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name4,4-diethyl-3,5-dimethylpyrazole
SMILESCCC1(CC)C(C)=NN=C1C
InChIInChI=1S/C9H16N2/c1-5-9(6-2)7(3)10-11-8(9)4/h5-6H2,1-4H3
InChIKeySCWNHJNPFNEMSU-UHFFFAOYSA-N
XLogP2.64
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-diethyl-3,5-dimethylpyrazole?
The IUPAC name of 4,4-diethyl-3,5-dimethylpyrazole (CID 12611772) is 4,4-diethyl-3,5-dimethylpyrazole.
What is the SMILES notation for 4,4-diethyl-3,5-dimethylpyrazole?
The canonical SMILES for 4,4-diethyl-3,5-dimethylpyrazole is CCC1(CC)C(C)=NN=C1C.
What is the InChIKey of 4,4-diethyl-3,5-dimethylpyrazole?
The InChIKey is SCWNHJNPFNEMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-5-9(6-2)7(3)10-11-8(9)4/h5-6H2,1-4H3.
What are the key properties of 4,4-diethyl-3,5-dimethylpyrazole?
4,4-diethyl-3,5-dimethylpyrazole has a molecular weight of 152.24 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diethyl-3,5-dimethylpyrazole is sourced from PubChem (CID 12611772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).