4-(3,5-diethylpyrazol-1-yl)-1-(4-fluorophenyl)butan-1-one

C17H21FN2O — CID 82695681

IUPAC4-(3,5-diethylpyrazol-1-yl)-1-(4-fluorophenyl)butan-1-one
SMILESCCc1cc(CC)n(CCCC(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C17H21FN2O/c1-3-15-12-16(4-2)20(19-15)11-5-6-17(21)13-7-9-14(18)10-8-13/h7-10,12H,3-6,11H2,1-2H3
InChIKeyQNFDKIGADFYJKV-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.81
Rot. Bonds7

About 4-(3,5-diethylpyrazol-1-yl)-1-(4-fluorophenyl)butan-1-one

4-(3,5-diethylpyrazol-1-yl)-1-(4-fluorophenyl)butan-1-one (PubChem CID 82695681) has the molecular formula C17H21FN2O and a molecular weight of 288.37 g/mol. Its IUPAC name is 4-(3,5-diethylpyrazol-1-yl)-1-(4-fluorophenyl)butan-1-one.

Molecular Properties

Compound Name4-(3,5-diethylpyrazol-1-yl)-1-(4-fluorophenyl)butan-1-one
PubChem CID82695681
Molecular FormulaC17H21FN2O
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC Name4-(3,5-diethylpyrazol-1-yl)-1-(4-fluorophenyl)butan-1-one
SMILESCCc1cc(CC)n(CCCC(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C17H21FN2O/c1-3-15-12-16(4-2)20(19-15)11-5-6-17(21)13-7-9-14(18)10-8-13/h7-10,12H,3-6,11H2,1-2H3
InChIKeyQNFDKIGADFYJKV-UHFFFAOYSA-N
XLogP3.81
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-diethylpyrazol-1-yl)-1-(4-fluorophenyl)butan-1-one?
The IUPAC name of 4-(3,5-diethylpyrazol-1-yl)-1-(4-fluorophenyl)butan-1-one (CID 82695681) is 4-(3,5-diethylpyrazol-1-yl)-1-(4-fluorophenyl)butan-1-one.
What is the SMILES notation for 4-(3,5-diethylpyrazol-1-yl)-1-(4-fluorophenyl)butan-1-one?
The canonical SMILES for 4-(3,5-diethylpyrazol-1-yl)-1-(4-fluorophenyl)butan-1-one is CCc1cc(CC)n(CCCC(=O)c2ccc(F)cc2)n1.
What is the InChIKey of 4-(3,5-diethylpyrazol-1-yl)-1-(4-fluorophenyl)butan-1-one?
The InChIKey is QNFDKIGADFYJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O/c1-3-15-12-16(4-2)20(19-15)11-5-6-17(21)13-7-9-14(18)10-8-13/h7-10,12H,3-6,11H2,1-2H3.
What are the key properties of 4-(3,5-diethylpyrazol-1-yl)-1-(4-fluorophenyl)butan-1-one?
4-(3,5-diethylpyrazol-1-yl)-1-(4-fluorophenyl)butan-1-one has a molecular weight of 288.37 g/mol, XLogP of 3.81, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-diethylpyrazol-1-yl)-1-(4-fluorophenyl)butan-1-one is sourced from PubChem (CID 82695681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).