3,5-dibutyl-3H-pyrazole

C11H20N2 — CID 22497050

IUPAC3,5-dibutyl-3H-pyrazole
SMILESCCCCC1=CC(CCCC)N=N1
InChIInChI=1S/C11H20N2/c1-3-5-7-10-9-11(13-12-10)8-6-4-2/h9-10H,3-8H2,1-2H3
InChIKeyVKJJSGJVDLQRRA-UHFFFAOYSA-N
MW180.29 g/mol
LogP4.09
Rot. Bonds6

About 3,5-dibutyl-3H-pyrazole

3,5-dibutyl-3H-pyrazole (PubChem CID 22497050) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 3,5-dibutyl-3H-pyrazole.

Molecular Properties

Compound Name3,5-dibutyl-3H-pyrazole
PubChem CID22497050
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name3,5-dibutyl-3H-pyrazole
SMILESCCCCC1=CC(CCCC)N=N1
InChIInChI=1S/C11H20N2/c1-3-5-7-10-9-11(13-12-10)8-6-4-2/h9-10H,3-8H2,1-2H3
InChIKeyVKJJSGJVDLQRRA-UHFFFAOYSA-N
XLogP4.09
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dibutyl-3H-pyrazole?
The IUPAC name of 3,5-dibutyl-3H-pyrazole (CID 22497050) is 3,5-dibutyl-3H-pyrazole.
What is the SMILES notation for 3,5-dibutyl-3H-pyrazole?
The canonical SMILES for 3,5-dibutyl-3H-pyrazole is CCCCC1=CC(CCCC)N=N1.
What is the InChIKey of 3,5-dibutyl-3H-pyrazole?
The InChIKey is VKJJSGJVDLQRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-3-5-7-10-9-11(13-12-10)8-6-4-2/h9-10H,3-8H2,1-2H3.
What are the key properties of 3,5-dibutyl-3H-pyrazole?
3,5-dibutyl-3H-pyrazole has a molecular weight of 180.29 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibutyl-3H-pyrazole is sourced from PubChem (CID 22497050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).