4-fluoro-1-pentan-2-ylpyrazole

C8H13FN2 — CID 135256763

IUPAC4-fluoro-1-pentan-2-ylpyrazole
SMILESCCCC(C)n1cc(F)cn1
InChIInChI=1S/C8H13FN2/c1-3-4-7(2)11-6-8(9)5-10-11/h5-7H,3-4H2,1-2H3
InChIKeyLUMFNFJTMHNYEI-UHFFFAOYSA-N
MW156.20 g/mol
LogP2.38
Rot. Bonds3

About 4-fluoro-1-pentan-2-ylpyrazole

4-fluoro-1-pentan-2-ylpyrazole (PubChem CID 135256763) has the molecular formula C8H13FN2 and a molecular weight of 156.20 g/mol. Its IUPAC name is 4-fluoro-1-pentan-2-ylpyrazole.

Molecular Properties

Compound Name4-fluoro-1-pentan-2-ylpyrazole
PubChem CID135256763
Molecular FormulaC8H13FN2
Molecular Weight156.20 g/mol
Exact Mass156.11
IUPAC Name4-fluoro-1-pentan-2-ylpyrazole
SMILESCCCC(C)n1cc(F)cn1
InChIInChI=1S/C8H13FN2/c1-3-4-7(2)11-6-8(9)5-10-11/h5-7H,3-4H2,1-2H3
InChIKeyLUMFNFJTMHNYEI-UHFFFAOYSA-N
XLogP2.38
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-pentan-2-ylpyrazole?
The IUPAC name of 4-fluoro-1-pentan-2-ylpyrazole (CID 135256763) is 4-fluoro-1-pentan-2-ylpyrazole.
What is the SMILES notation for 4-fluoro-1-pentan-2-ylpyrazole?
The canonical SMILES for 4-fluoro-1-pentan-2-ylpyrazole is CCCC(C)n1cc(F)cn1.
What is the InChIKey of 4-fluoro-1-pentan-2-ylpyrazole?
The InChIKey is LUMFNFJTMHNYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2/c1-3-4-7(2)11-6-8(9)5-10-11/h5-7H,3-4H2,1-2H3.
What are the key properties of 4-fluoro-1-pentan-2-ylpyrazole?
4-fluoro-1-pentan-2-ylpyrazole has a molecular weight of 156.20 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-pentan-2-ylpyrazole is sourced from PubChem (CID 135256763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).