3-(1-fluorobut-2-enyl)-1-methyl-4-prop-1-en-2-ylpyrazole

C11H15FN2 — CID 123792380

IUPAC3-(1-fluorobut-2-enyl)-1-methyl-4-prop-1-en-2-ylpyrazole
SMILESC=C(C)c1cn(C)nc1C(F)C=CC
InChIInChI=1S/C11H15FN2/c1-5-6-10(12)11-9(8(2)3)7-14(4)13-11/h5-7,10H,2H2,1,3-4H3
InChIKeySALJIPYLPACURQ-UHFFFAOYSA-N
MW194.25 g/mol
LogP3.04
Rot. Bonds3

About 3-(1-fluorobut-2-enyl)-1-methyl-4-prop-1-en-2-ylpyrazole

3-(1-fluorobut-2-enyl)-1-methyl-4-prop-1-en-2-ylpyrazole (PubChem CID 123792380) has the molecular formula C11H15FN2 and a molecular weight of 194.25 g/mol. Its IUPAC name is 3-(1-fluorobut-2-enyl)-1-methyl-4-prop-1-en-2-ylpyrazole.

Molecular Properties

Compound Name3-(1-fluorobut-2-enyl)-1-methyl-4-prop-1-en-2-ylpyrazole
PubChem CID123792380
Molecular FormulaC11H15FN2
Molecular Weight194.25 g/mol
Exact Mass194.12
IUPAC Name3-(1-fluorobut-2-enyl)-1-methyl-4-prop-1-en-2-ylpyrazole
SMILESC=C(C)c1cn(C)nc1C(F)C=CC
InChIInChI=1S/C11H15FN2/c1-5-6-10(12)11-9(8(2)3)7-14(4)13-11/h5-7,10H,2H2,1,3-4H3
InChIKeySALJIPYLPACURQ-UHFFFAOYSA-N
XLogP3.04
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-3-phenyl-1H-pyrazole
CID 137946
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CID 12251378
4-Phenylethynyl-1,5-dimethylpyrazole
CID 5235227
1-methyl-4-phenyl-3-trifluoromethyl-1H-pyrazole
CID 2740138
1-Methyl-5-phenylpyrazole
CID 137947
1-Methyl-3-t-butylpyrazole
CID 145633
1-Benzyl-3-methyl-1H-pyrazole
CID 10419637
3-Methyl-1-phenethyl-1h-pyrazole
CID 15355052
1-(1,3-dimethyl-1H-pyrazol-4-yl)propan-2-amine
CID 19585896
3-cyclopropyl-1-methyl-1H-pyrazole
CID 23300060
3-cyclopropyl-1-ethyl-1H-pyrazole
CID 25247549
3-(4-Fluorophenyl)-1-methyl-1h-pyrazole
CID 66868800

Frequently Asked Questions

What is the IUPAC name of 3-(1-fluorobut-2-enyl)-1-methyl-4-prop-1-en-2-ylpyrazole?
The IUPAC name of 3-(1-fluorobut-2-enyl)-1-methyl-4-prop-1-en-2-ylpyrazole (CID 123792380) is 3-(1-fluorobut-2-enyl)-1-methyl-4-prop-1-en-2-ylpyrazole.
What is the SMILES notation for 3-(1-fluorobut-2-enyl)-1-methyl-4-prop-1-en-2-ylpyrazole?
The canonical SMILES for 3-(1-fluorobut-2-enyl)-1-methyl-4-prop-1-en-2-ylpyrazole is C=C(C)c1cn(C)nc1C(F)C=CC.
What is the InChIKey of 3-(1-fluorobut-2-enyl)-1-methyl-4-prop-1-en-2-ylpyrazole?
The InChIKey is SALJIPYLPACURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2/c1-5-6-10(12)11-9(8(2)3)7-14(4)13-11/h5-7,10H,2H2,1,3-4H3.
What are the key properties of 3-(1-fluorobut-2-enyl)-1-methyl-4-prop-1-en-2-ylpyrazole?
3-(1-fluorobut-2-enyl)-1-methyl-4-prop-1-en-2-ylpyrazole has a molecular weight of 194.25 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-fluorobut-2-enyl)-1-methyl-4-prop-1-en-2-ylpyrazole is sourced from PubChem (CID 123792380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).