3-ethyl-1-propylpyrazole

C8H14N2 — CID 23006154

IUPAC3-ethyl-1-propylpyrazole
SMILESCCCn1ccc(CC)n1
InChIInChI=1S/C8H14N2/c1-3-6-10-7-5-8(4-2)9-10/h5,7H,3-4,6H2,1-2H3
InChIKeyUIGQYGPAPIIYBQ-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.86
Rot. Bonds3

About 3-ethyl-1-propylpyrazole

3-ethyl-1-propylpyrazole (PubChem CID 23006154) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 3-ethyl-1-propylpyrazole.

Molecular Properties

Compound Name3-ethyl-1-propylpyrazole
PubChem CID23006154
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name3-ethyl-1-propylpyrazole
SMILESCCCn1ccc(CC)n1
InChIInChI=1S/C8H14N2/c1-3-6-10-7-5-8(4-2)9-10/h5,7H,3-4,6H2,1-2H3
InChIKeyUIGQYGPAPIIYBQ-UHFFFAOYSA-N
XLogP1.86
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-propylpyrazole?
The IUPAC name of 3-ethyl-1-propylpyrazole (CID 23006154) is 3-ethyl-1-propylpyrazole.
What is the SMILES notation for 3-ethyl-1-propylpyrazole?
The canonical SMILES for 3-ethyl-1-propylpyrazole is CCCn1ccc(CC)n1.
What is the InChIKey of 3-ethyl-1-propylpyrazole?
The InChIKey is UIGQYGPAPIIYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-3-6-10-7-5-8(4-2)9-10/h5,7H,3-4,6H2,1-2H3.
What are the key properties of 3-ethyl-1-propylpyrazole?
3-ethyl-1-propylpyrazole has a molecular weight of 138.21 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-propylpyrazole is sourced from PubChem (CID 23006154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).