1,3-dibutylpyrazole

C11H20N2 — CID 19604005

IUPAC1,3-dibutylpyrazole
SMILESCCCCc1ccn(CCCC)n1
InChIInChI=1S/C11H20N2/c1-3-5-7-11-8-10-13(12-11)9-6-4-2/h8,10H,3-7,9H2,1-2H3
InChIKeyJVYFJYPLZZBDDU-UHFFFAOYSA-N
MW180.30 g/mol
LogP3.03
Rot. Bonds6

About 1,3-dibutylpyrazole

1,3-dibutylpyrazole (PubChem CID 19604005) has the molecular formula C11H20N2 and a molecular weight of 180.30 g/mol. Its IUPAC name is 1,3-dibutylpyrazole.

Molecular Properties

Compound Name1,3-dibutylpyrazole
PubChem CID19604005
Molecular FormulaC11H20N2
Molecular Weight180.30 g/mol
Exact Mass180.16
IUPAC Name1,3-dibutylpyrazole
SMILESCCCCc1ccn(CCCC)n1
InChIInChI=1S/C11H20N2/c1-3-5-7-11-8-10-13(12-11)9-6-4-2/h8,10H,3-7,9H2,1-2H3
InChIKeyJVYFJYPLZZBDDU-UHFFFAOYSA-N
XLogP3.03
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.30
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,3-dibutylpyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-dibutylpyrazole?
The IUPAC name of 1,3-dibutylpyrazole (CID 19604005) is 1,3-dibutylpyrazole.
What is the SMILES notation for 1,3-dibutylpyrazole?
The canonical SMILES for 1,3-dibutylpyrazole is CCCCc1ccn(CCCC)n1.
What is the InChIKey of 1,3-dibutylpyrazole?
The InChIKey is JVYFJYPLZZBDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-3-5-7-11-8-10-13(12-11)9-6-4-2/h8,10H,3-7,9H2,1-2H3.
What are the key properties of 1,3-dibutylpyrazole?
1,3-dibutylpyrazole has a molecular weight of 180.30 g/mol, XLogP of 3.03, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibutylpyrazole is sourced from PubChem (CID 19604005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).