1-butyl-5-ethylpyrazole

C9H16N2 — CID 23006159

IUPAC1-butyl-5-ethylpyrazole
SMILESCCCCn1nccc1CC
InChIInChI=1S/C9H16N2/c1-3-5-8-11-9(4-2)6-7-10-11/h6-7H,3-5,8H2,1-2H3
InChIKeyDNIBLHYIMUUUOM-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.25
Rot. Bonds4

About 1-butyl-5-ethylpyrazole

1-butyl-5-ethylpyrazole (PubChem CID 23006159) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-butyl-5-ethylpyrazole.

Molecular Properties

Compound Name1-butyl-5-ethylpyrazole
PubChem CID23006159
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name1-butyl-5-ethylpyrazole
SMILESCCCCn1nccc1CC
InChIInChI=1S/C9H16N2/c1-3-5-8-11-9(4-2)6-7-10-11/h6-7H,3-5,8H2,1-2H3
InChIKeyDNIBLHYIMUUUOM-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 1-butyl-5-ethylpyrazole?
The IUPAC name of 1-butyl-5-ethylpyrazole (CID 23006159) is 1-butyl-5-ethylpyrazole.
What is the SMILES notation for 1-butyl-5-ethylpyrazole?
The canonical SMILES for 1-butyl-5-ethylpyrazole is CCCCn1nccc1CC.
What is the InChIKey of 1-butyl-5-ethylpyrazole?
The InChIKey is DNIBLHYIMUUUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-3-5-8-11-9(4-2)6-7-10-11/h6-7H,3-5,8H2,1-2H3.
What are the key properties of 1-butyl-5-ethylpyrazole?
1-butyl-5-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 1-butyl-5-ethylpyrazole is sourced from PubChem (CID 23006159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).