3,4-dibutyl-1-methylpyrazole

C12H22N2 — CID 57481981

IUPAC3,4-dibutyl-1-methylpyrazole
SMILESCCCCc1cn(C)nc1CCCC
InChIInChI=1S/C12H22N2/c1-4-6-8-11-10-14(3)13-12(11)9-7-5-2/h10H,4-9H2,1-3H3
InChIKeyOMBHCLUDUGTTRA-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.11
Rot. Bonds6

About 3,4-dibutyl-1-methylpyrazole

3,4-dibutyl-1-methylpyrazole (PubChem CID 57481981) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 3,4-dibutyl-1-methylpyrazole.

Molecular Properties

Compound Name3,4-dibutyl-1-methylpyrazole
PubChem CID57481981
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name3,4-dibutyl-1-methylpyrazole
SMILESCCCCc1cn(C)nc1CCCC
InChIInChI=1S/C12H22N2/c1-4-6-8-11-10-14(3)13-12(11)9-7-5-2/h10H,4-9H2,1-3H3
InChIKeyOMBHCLUDUGTTRA-UHFFFAOYSA-N
XLogP3.11
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,4-dibutyl-1-methylpyrazole 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 3,4-dibutyl-1-methylpyrazole?
The IUPAC name of 3,4-dibutyl-1-methylpyrazole (CID 57481981) is 3,4-dibutyl-1-methylpyrazole.
What is the SMILES notation for 3,4-dibutyl-1-methylpyrazole?
The canonical SMILES for 3,4-dibutyl-1-methylpyrazole is CCCCc1cn(C)nc1CCCC.
What is the InChIKey of 3,4-dibutyl-1-methylpyrazole?
The InChIKey is OMBHCLUDUGTTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-4-6-8-11-10-14(3)13-12(11)9-7-5-2/h10H,4-9H2,1-3H3.
What are the key properties of 3,4-dibutyl-1-methylpyrazole?
3,4-dibutyl-1-methylpyrazole has a molecular weight of 194.32 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibutyl-1-methylpyrazole is sourced from PubChem (CID 57481981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).