5-fluoro-1-methyl-4-prop-1-en-2-yl-3-propylpyrazole

C10H15FN2 — CID 123341392

IUPAC5-fluoro-1-methyl-4-prop-1-en-2-yl-3-propylpyrazole
SMILESC=C(C)c1c(CCC)nn(C)c1F
InChIInChI=1S/C10H15FN2/c1-5-6-8-9(7(2)3)10(11)13(4)12-8/h2,5-6H2,1,3-4H3
InChIKeyVAUAGUVBJIJDOX-UHFFFAOYSA-N
MW182.24 g/mol
LogP2.54
Rot. Bonds3

About 5-fluoro-1-methyl-4-prop-1-en-2-yl-3-propylpyrazole

5-fluoro-1-methyl-4-prop-1-en-2-yl-3-propylpyrazole (PubChem CID 123341392) has the molecular formula C10H15FN2 and a molecular weight of 182.24 g/mol. Its IUPAC name is 5-fluoro-1-methyl-4-prop-1-en-2-yl-3-propylpyrazole.

Molecular Properties

Compound Name5-fluoro-1-methyl-4-prop-1-en-2-yl-3-propylpyrazole
PubChem CID123341392
Molecular FormulaC10H15FN2
Molecular Weight182.24 g/mol
Exact Mass182.12
IUPAC Name5-fluoro-1-methyl-4-prop-1-en-2-yl-3-propylpyrazole
SMILESC=C(C)c1c(CCC)nn(C)c1F
InChIInChI=1S/C10H15FN2/c1-5-6-8-9(7(2)3)10(11)13(4)12-8/h2,5-6H2,1,3-4H3
InChIKeyVAUAGUVBJIJDOX-UHFFFAOYSA-N
XLogP2.54
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-methyl-4-prop-1-en-2-yl-3-propylpyrazole?
The IUPAC name of 5-fluoro-1-methyl-4-prop-1-en-2-yl-3-propylpyrazole (CID 123341392) is 5-fluoro-1-methyl-4-prop-1-en-2-yl-3-propylpyrazole.
What is the SMILES notation for 5-fluoro-1-methyl-4-prop-1-en-2-yl-3-propylpyrazole?
The canonical SMILES for 5-fluoro-1-methyl-4-prop-1-en-2-yl-3-propylpyrazole is C=C(C)c1c(CCC)nn(C)c1F.
What is the InChIKey of 5-fluoro-1-methyl-4-prop-1-en-2-yl-3-propylpyrazole?
The InChIKey is VAUAGUVBJIJDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2/c1-5-6-8-9(7(2)3)10(11)13(4)12-8/h2,5-6H2,1,3-4H3.
What are the key properties of 5-fluoro-1-methyl-4-prop-1-en-2-yl-3-propylpyrazole?
5-fluoro-1-methyl-4-prop-1-en-2-yl-3-propylpyrazole has a molecular weight of 182.24 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-methyl-4-prop-1-en-2-yl-3-propylpyrazole is sourced from PubChem (CID 123341392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).