3-butyl-1-ethylpyrazole

C9H16N2 — CID 90900447

IUPAC3-butyl-1-ethylpyrazole
SMILESCCCCc1ccn(CC)n1
InChIInChI=1S/C9H16N2/c1-3-5-6-9-7-8-11(4-2)10-9/h7-8H,3-6H2,1-2H3
InChIKeyCBRXTABZUBGUOH-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.25
Rot. Bonds4

About 3-butyl-1-ethylpyrazole

3-butyl-1-ethylpyrazole (PubChem CID 90900447) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 3-butyl-1-ethylpyrazole.

Molecular Properties

Compound Name3-butyl-1-ethylpyrazole
PubChem CID90900447
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name3-butyl-1-ethylpyrazole
SMILESCCCCc1ccn(CC)n1
InChIInChI=1S/C9H16N2/c1-3-5-6-9-7-8-11(4-2)10-9/h7-8H,3-6H2,1-2H3
InChIKeyCBRXTABZUBGUOH-UHFFFAOYSA-N
XLogP2.25
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-1-ethylpyrazole?
The IUPAC name of 3-butyl-1-ethylpyrazole (CID 90900447) is 3-butyl-1-ethylpyrazole.
What is the SMILES notation for 3-butyl-1-ethylpyrazole?
The canonical SMILES for 3-butyl-1-ethylpyrazole is CCCCc1ccn(CC)n1.
What is the InChIKey of 3-butyl-1-ethylpyrazole?
The InChIKey is CBRXTABZUBGUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-3-5-6-9-7-8-11(4-2)10-9/h7-8H,3-6H2,1-2H3.
What are the key properties of 3-butyl-1-ethylpyrazole?
3-butyl-1-ethylpyrazole has a molecular weight of 152.24 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1-ethylpyrazole is sourced from PubChem (CID 90900447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).