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

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Related Compounds

N-[2-(3-ethyl-1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 112671374
3-(4-chloro-1-methylpyrazol-3-yl)propan-1-amine
CID 55267157
4-(3-ethyl-1-methylpyrazol-4-yl)-N-propylbutan-2-amine
CID 112671485
trimethyl-(1-methyl-3-propylpyrazol-4-yl)silane
CID 130535860
3-ethyl-1-methyl-N-pentylpyrazol-4-amine
CID 107462468
4-bromo-3-(bromomethyl)-1-methylpyrazole;4-bromo-1-methyl-3-propylpyrazole
CID 159048290
1-methyl-4-propylpyrazole-3-carbaldehyde
CID 105422580
3,4,5-tributylpyridine
CID 173010708
3-(1-methyl-4-propan-2-ylpyrazol-3-yl)propan-1-amine
CID 105422777
3-ethyl-1-methyl-4-(pyrrol-1-ylmethyl)pyrazole
CID 112671869
N-[(1,3-dimethylpyrazol-4-yl)methyl]decan-1-amine
CID 83089811
3-butyl-4-chloro-1-(2,2,2-trifluoroethyl)pyrazole
CID 174774861

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).