1,3-diethylpyrazole

C7H12N2 — CID 23006152

IUPAC1,3-diethylpyrazole
SMILESCCc1ccn(CC)n1
InChIInChI=1S/C7H12N2/c1-3-7-5-6-9(4-2)8-7/h5-6H,3-4H2,1-2H3
InChIKeyMARPBYIVZUKMRU-UHFFFAOYSA-N
MW124.19 g/mol
LogP1.47
Rot. Bonds2

About 1,3-diethylpyrazole

1,3-diethylpyrazole (PubChem CID 23006152) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 1,3-diethylpyrazole.

Molecular Properties

Compound Name1,3-diethylpyrazole
PubChem CID23006152
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name1,3-diethylpyrazole
SMILESCCc1ccn(CC)n1
InChIInChI=1S/C7H12N2/c1-3-7-5-6-9(4-2)8-7/h5-6H,3-4H2,1-2H3
InChIKeyMARPBYIVZUKMRU-UHFFFAOYSA-N
XLogP1.47
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-diethylpyrazole?
The IUPAC name of 1,3-diethylpyrazole (CID 23006152) is 1,3-diethylpyrazole.
What is the SMILES notation for 1,3-diethylpyrazole?
The canonical SMILES for 1,3-diethylpyrazole is CCc1ccn(CC)n1.
What is the InChIKey of 1,3-diethylpyrazole?
The InChIKey is MARPBYIVZUKMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-3-7-5-6-9(4-2)8-7/h5-6H,3-4H2,1-2H3.
What are the key properties of 1,3-diethylpyrazole?
1,3-diethylpyrazole has a molecular weight of 124.19 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethylpyrazole is sourced from PubChem (CID 23006152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).