4-fluoro-1-propylpyrazole

C6H9FN2 — CID 90761738

IUPAC4-fluoro-1-propylpyrazole
SMILESCCCn1cc(F)cn1
InChIInChI=1S/C6H9FN2/c1-2-3-9-5-6(7)4-8-9/h4-5H,2-3H2,1H3
InChIKeyKOTATGVULTYFAN-UHFFFAOYSA-N
MW128.15 g/mol
LogP1.43
Rot. Bonds2

About 4-fluoro-1-propylpyrazole

4-fluoro-1-propylpyrazole (PubChem CID 90761738) has the molecular formula C6H9FN2 and a molecular weight of 128.15 g/mol. Its IUPAC name is 4-fluoro-1-propylpyrazole.

Molecular Properties

Compound Name4-fluoro-1-propylpyrazole
PubChem CID90761738
Molecular FormulaC6H9FN2
Molecular Weight128.15 g/mol
Exact Mass128.07
IUPAC Name4-fluoro-1-propylpyrazole
SMILESCCCn1cc(F)cn1
InChIInChI=1S/C6H9FN2/c1-2-3-9-5-6(7)4-8-9/h4-5H,2-3H2,1H3
InChIKeyKOTATGVULTYFAN-UHFFFAOYSA-N
XLogP1.43
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.15
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-propylpyrazole?
The IUPAC name of 4-fluoro-1-propylpyrazole (CID 90761738) is 4-fluoro-1-propylpyrazole.
What is the SMILES notation for 4-fluoro-1-propylpyrazole?
The canonical SMILES for 4-fluoro-1-propylpyrazole is CCCn1cc(F)cn1.
What is the InChIKey of 4-fluoro-1-propylpyrazole?
The InChIKey is KOTATGVULTYFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN2/c1-2-3-9-5-6(7)4-8-9/h4-5H,2-3H2,1H3.
What are the key properties of 4-fluoro-1-propylpyrazole?
4-fluoro-1-propylpyrazole has a molecular weight of 128.15 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-propylpyrazole is sourced from PubChem (CID 90761738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).