2,5-dibutyl-3,4-dihydropyrazole

C11H22N2 — CID 19604013

IUPAC2,5-dibutyl-3,4-dihydropyrazole
SMILESCCCCC1=NN(CCCC)CC1
InChIInChI=1S/C11H22N2/c1-3-5-7-11-8-10-13(12-11)9-6-4-2/h3-10H2,1-2H3
InChIKeyFEKYUNQMYLXMFZ-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.04
Rot. Bonds6

About 2,5-dibutyl-3,4-dihydropyrazole

2,5-dibutyl-3,4-dihydropyrazole (PubChem CID 19604013) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 2,5-dibutyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name2,5-dibutyl-3,4-dihydropyrazole
PubChem CID19604013
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name2,5-dibutyl-3,4-dihydropyrazole
SMILESCCCCC1=NN(CCCC)CC1
InChIInChI=1S/C11H22N2/c1-3-5-7-11-8-10-13(12-11)9-6-4-2/h3-10H2,1-2H3
InChIKeyFEKYUNQMYLXMFZ-UHFFFAOYSA-N
XLogP3.04
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dibutyl-3,4-dihydropyrazole?
The IUPAC name of 2,5-dibutyl-3,4-dihydropyrazole (CID 19604013) is 2,5-dibutyl-3,4-dihydropyrazole.
What is the SMILES notation for 2,5-dibutyl-3,4-dihydropyrazole?
The canonical SMILES for 2,5-dibutyl-3,4-dihydropyrazole is CCCCC1=NN(CCCC)CC1.
What is the InChIKey of 2,5-dibutyl-3,4-dihydropyrazole?
The InChIKey is FEKYUNQMYLXMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-3-5-7-11-8-10-13(12-11)9-6-4-2/h3-10H2,1-2H3.
What are the key properties of 2,5-dibutyl-3,4-dihydropyrazole?
2,5-dibutyl-3,4-dihydropyrazole has a molecular weight of 182.31 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibutyl-3,4-dihydropyrazole is sourced from PubChem (CID 19604013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).