1-ethenyl-5-[(E)-2-fluoroprop-1-enyl]-3-methylpyrazole

C9H11FN2 — CID 144848727

IUPAC1-ethenyl-5-[(E)-2-fluoroprop-1-enyl]-3-methylpyrazole
SMILESC=Cn1nc(C)cc1/C=C(\C)F
InChIInChI=1S/C9H11FN2/c1-4-12-9(5-7(2)10)6-8(3)11-12/h4-6H,1H2,2-3H3/b7-5+
InChIKeyBHTLZCGFQSCNSQ-FNORWQNLSA-N
MW166.20 g/mol
LogP2.62
Rot. Bonds2

About 1-ethenyl-5-[(E)-2-fluoroprop-1-enyl]-3-methylpyrazole

1-ethenyl-5-[(E)-2-fluoroprop-1-enyl]-3-methylpyrazole (PubChem CID 144848727) has the molecular formula C9H11FN2 and a molecular weight of 166.20 g/mol. Its IUPAC name is 1-ethenyl-5-[(E)-2-fluoroprop-1-enyl]-3-methylpyrazole.

Molecular Properties

Compound Name1-ethenyl-5-[(E)-2-fluoroprop-1-enyl]-3-methylpyrazole
PubChem CID144848727
Molecular FormulaC9H11FN2
Molecular Weight166.20 g/mol
Exact Mass166.09
IUPAC Name1-ethenyl-5-[(E)-2-fluoroprop-1-enyl]-3-methylpyrazole
SMILESC=Cn1nc(C)cc1/C=C(\C)F
InChIInChI=1S/C9H11FN2/c1-4-12-9(5-7(2)10)6-8(3)11-12/h4-6H,1H2,2-3H3/b7-5+
InChIKeyBHTLZCGFQSCNSQ-FNORWQNLSA-N
XLogP2.62
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-5-[(E)-2-fluoroprop-1-enyl]-3-methylpyrazole?
The IUPAC name of 1-ethenyl-5-[(E)-2-fluoroprop-1-enyl]-3-methylpyrazole (CID 144848727) is 1-ethenyl-5-[(E)-2-fluoroprop-1-enyl]-3-methylpyrazole.
What is the SMILES notation for 1-ethenyl-5-[(E)-2-fluoroprop-1-enyl]-3-methylpyrazole?
The canonical SMILES for 1-ethenyl-5-[(E)-2-fluoroprop-1-enyl]-3-methylpyrazole is C=Cn1nc(C)cc1/C=C(\C)F.
What is the InChIKey of 1-ethenyl-5-[(E)-2-fluoroprop-1-enyl]-3-methylpyrazole?
The InChIKey is BHTLZCGFQSCNSQ-FNORWQNLSA-N. The full InChI is InChI=1S/C9H11FN2/c1-4-12-9(5-7(2)10)6-8(3)11-12/h4-6H,1H2,2-3H3/b7-5+.
What are the key properties of 1-ethenyl-5-[(E)-2-fluoroprop-1-enyl]-3-methylpyrazole?
1-ethenyl-5-[(E)-2-fluoroprop-1-enyl]-3-methylpyrazole has a molecular weight of 166.20 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-5-[(E)-2-fluoroprop-1-enyl]-3-methylpyrazole is sourced from PubChem (CID 144848727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).