3,3-dibutylpyrazole

C11H20N2 — CID 154963182

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

About 3,3-dibutylpyrazole

3,3-dibutylpyrazole (PubChem CID 154963182) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 3,3-dibutylpyrazole.

Molecular Properties

Compound Name3,3-dibutylpyrazole
PubChem CID154963182
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name3,3-dibutylpyrazole
SMILESCCCCC1(CCCC)C=CN=N1
InChIInChI=1S/C11H20N2/c1-3-5-7-11(8-6-4-2)9-10-12-13-11/h9-10H,3-8H2,1-2H3
InChIKeyLQQCEVHXGCUYHM-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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Related Compounds

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3-ethyl-3-(2-methylpropyl)pyrazole
CID 142153004
3-methyl-3-propylpyrazole
CID 173140451
4-butyl-4-methyl-1H-pyrimidine
CID 90806003
2,2,3,3-tetrabutylaziridine
CID 87703412
5-butyl-5-ethyltetrazole
CID 68800278
3-butyl-3-methylazetidine;ethane
CID 145389820
3-butyl-3-fluoroazetidine
CID 112563312
(3S)-3-methylpyrazol-3-amine
CID 175312913
(4-hexadecyltriazol-4-yl)methanamine;hydrobromide
CID 175545251

Frequently Asked Questions

What is the IUPAC name of 3,3-dibutylpyrazole?
The IUPAC name of 3,3-dibutylpyrazole (CID 154963182) is 3,3-dibutylpyrazole.
What is the SMILES notation for 3,3-dibutylpyrazole?
The canonical SMILES for 3,3-dibutylpyrazole is CCCCC1(CCCC)C=CN=N1.
What is the InChIKey of 3,3-dibutylpyrazole?
The InChIKey is LQQCEVHXGCUYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-3-5-7-11(8-6-4-2)9-10-12-13-11/h9-10H,3-8H2,1-2H3.
What are the key properties of 3,3-dibutylpyrazole?
3,3-dibutylpyrazole 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 3,3-dibutylpyrazole is sourced from PubChem (CID 154963182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).