3,4,5-tributyl-1-methylpyrazole

C16H30N2 — CID 57481984

IUPAC3,4,5-tributyl-1-methylpyrazole
SMILESCCCCc1nn(C)c(CCCC)c1CCCC
InChIInChI=1S/C16H30N2/c1-5-8-11-14-15(12-9-6-2)17-18(4)16(14)13-10-7-3/h5-13H2,1-4H3
InChIKeyAZFBTJGNCMXHTF-UHFFFAOYSA-N
MW250.43 g/mol
LogP4.45
Rot. Bonds9

About 3,4,5-tributyl-1-methylpyrazole

3,4,5-tributyl-1-methylpyrazole (PubChem CID 57481984) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 3,4,5-tributyl-1-methylpyrazole.

Molecular Properties

Compound Name3,4,5-tributyl-1-methylpyrazole
PubChem CID57481984
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name3,4,5-tributyl-1-methylpyrazole
SMILESCCCCc1nn(C)c(CCCC)c1CCCC
InChIInChI=1S/C16H30N2/c1-5-8-11-14-15(12-9-6-2)17-18(4)16(14)13-10-7-3/h5-13H2,1-4H3
InChIKeyAZFBTJGNCMXHTF-UHFFFAOYSA-N
XLogP4.45
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-tributyl-1-methylpyrazole?
The IUPAC name of 3,4,5-tributyl-1-methylpyrazole (CID 57481984) is 3,4,5-tributyl-1-methylpyrazole.
What is the SMILES notation for 3,4,5-tributyl-1-methylpyrazole?
The canonical SMILES for 3,4,5-tributyl-1-methylpyrazole is CCCCc1nn(C)c(CCCC)c1CCCC.
What is the InChIKey of 3,4,5-tributyl-1-methylpyrazole?
The InChIKey is AZFBTJGNCMXHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-5-8-11-14-15(12-9-6-2)17-18(4)16(14)13-10-7-3/h5-13H2,1-4H3.
What are the key properties of 3,4,5-tributyl-1-methylpyrazole?
3,4,5-tributyl-1-methylpyrazole has a molecular weight of 250.43 g/mol, XLogP of 4.45, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-tributyl-1-methylpyrazole is sourced from PubChem (CID 57481984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).