1-(4-fluoro-2-methylidenepent-3-enyl)-5-methylpyrazole

C10H13FN2 — CID 123694896

IUPAC1-(4-fluoro-2-methylidenepent-3-enyl)-5-methylpyrazole
SMILESC=C(C=C(C)F)Cn1nccc1C
InChIInChI=1S/C10H13FN2/c1-8(6-9(2)11)7-13-10(3)4-5-12-13/h4-6H,1,7H2,2-3H3
InChIKeySVRHEWXJVJSBEY-UHFFFAOYSA-N
MW180.23 g/mol
LogP2.62
Rot. Bonds3

About 1-(4-fluoro-2-methylidenepent-3-enyl)-5-methylpyrazole

1-(4-fluoro-2-methylidenepent-3-enyl)-5-methylpyrazole (PubChem CID 123694896) has the molecular formula C10H13FN2 and a molecular weight of 180.23 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylidenepent-3-enyl)-5-methylpyrazole.

Molecular Properties

Compound Name1-(4-fluoro-2-methylidenepent-3-enyl)-5-methylpyrazole
PubChem CID123694896
Molecular FormulaC10H13FN2
Molecular Weight180.23 g/mol
Exact Mass180.11
IUPAC Name1-(4-fluoro-2-methylidenepent-3-enyl)-5-methylpyrazole
SMILESC=C(C=C(C)F)Cn1nccc1C
InChIInChI=1S/C10H13FN2/c1-8(6-9(2)11)7-13-10(3)4-5-12-13/h4-6H,1,7H2,2-3H3
InChIKeySVRHEWXJVJSBEY-UHFFFAOYSA-N
XLogP2.62
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylidenepent-3-enyl)-5-methylpyrazole?
The IUPAC name of 1-(4-fluoro-2-methylidenepent-3-enyl)-5-methylpyrazole (CID 123694896) is 1-(4-fluoro-2-methylidenepent-3-enyl)-5-methylpyrazole.
What is the SMILES notation for 1-(4-fluoro-2-methylidenepent-3-enyl)-5-methylpyrazole?
The canonical SMILES for 1-(4-fluoro-2-methylidenepent-3-enyl)-5-methylpyrazole is C=C(C=C(C)F)Cn1nccc1C.
What is the InChIKey of 1-(4-fluoro-2-methylidenepent-3-enyl)-5-methylpyrazole?
The InChIKey is SVRHEWXJVJSBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2/c1-8(6-9(2)11)7-13-10(3)4-5-12-13/h4-6H,1,7H2,2-3H3.
What are the key properties of 1-(4-fluoro-2-methylidenepent-3-enyl)-5-methylpyrazole?
1-(4-fluoro-2-methylidenepent-3-enyl)-5-methylpyrazole has a molecular weight of 180.23 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylidenepent-3-enyl)-5-methylpyrazole is sourced from PubChem (CID 123694896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).