1,4-diethyl-3,5-dimethylpyrazole

C9H16N2 — CID 45121256

IUPAC1,4-diethyl-3,5-dimethylpyrazole
SMILESCCc1c(C)nn(CC)c1C
InChIInChI=1S/C9H16N2/c1-5-9-7(3)10-11(6-2)8(9)4/h5-6H2,1-4H3
InChIKeyTVBAQWVAMLCRIX-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.08
Rot. Bonds2

About 1,4-diethyl-3,5-dimethylpyrazole

1,4-diethyl-3,5-dimethylpyrazole (PubChem CID 45121256) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 1,4-diethyl-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1,4-diethyl-3,5-dimethylpyrazole
PubChem CID45121256
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name1,4-diethyl-3,5-dimethylpyrazole
SMILESCCc1c(C)nn(CC)c1C
InChIInChI=1S/C9H16N2/c1-5-9-7(3)10-11(6-2)8(9)4/h5-6H2,1-4H3
InChIKeyTVBAQWVAMLCRIX-UHFFFAOYSA-N
XLogP2.08
TPSA17.82 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 ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-diethyl-3,5-dimethylpyrazole?
The IUPAC name of 1,4-diethyl-3,5-dimethylpyrazole (CID 45121256) is 1,4-diethyl-3,5-dimethylpyrazole.
What is the SMILES notation for 1,4-diethyl-3,5-dimethylpyrazole?
The canonical SMILES for 1,4-diethyl-3,5-dimethylpyrazole is CCc1c(C)nn(CC)c1C.
What is the InChIKey of 1,4-diethyl-3,5-dimethylpyrazole?
The InChIKey is TVBAQWVAMLCRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-5-9-7(3)10-11(6-2)8(9)4/h5-6H2,1-4H3.
What are the key properties of 1,4-diethyl-3,5-dimethylpyrazole?
1,4-diethyl-3,5-dimethylpyrazole has a molecular weight of 152.24 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diethyl-3,5-dimethylpyrazole is sourced from PubChem (CID 45121256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).