1-[(3S)-3-(3-fluorophenyl)-5-(5-methylfuran-2-yl)-3,4-dihydropyrazol-2-yl]ethanone

C16H15FN2O2 — CID 7088905

IUPAC1-[(3S)-3-(3-fluorophenyl)-5-(5-methylfuran-2-yl)-3,4-dihydropyrazol-2-yl]ethanone
SMILESCC(=O)N1N=C(c2ccc(C)o2)C[C@H]1c1cccc(F)c1
InChIInChI=1S/C16H15FN2O2/c1-10-6-7-16(21-10)14-9-15(19(18-14)11(2)20)12-4-3-5-13(17)8-12/h3-8,15H,9H2,1-2H3/t15-/m0/s1
InChIKeyHBLIBOGMGFMGHD-HNNXBMFYSA-N
MW286.31 g/mol
LogP3.42
Rot. Bonds2

About 1-[(3S)-3-(3-fluorophenyl)-5-(5-methylfuran-2-yl)-3,4-dihydropyrazol-2-yl]ethanone

1-[(3S)-3-(3-fluorophenyl)-5-(5-methylfuran-2-yl)-3,4-dihydropyrazol-2-yl]ethanone (PubChem CID 7088905) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is 1-[(3S)-3-(3-fluorophenyl)-5-(5-methylfuran-2-yl)-3,4-dihydropyrazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[(3S)-3-(3-fluorophenyl)-5-(5-methylfuran-2-yl)-3,4-dihydropyrazol-2-yl]ethanone
PubChem CID7088905
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC Name1-[(3S)-3-(3-fluorophenyl)-5-(5-methylfuran-2-yl)-3,4-dihydropyrazol-2-yl]ethanone
SMILESCC(=O)N1N=C(c2ccc(C)o2)C[C@H]1c1cccc(F)c1
InChIInChI=1S/C16H15FN2O2/c1-10-6-7-16(21-10)14-9-15(19(18-14)11(2)20)12-4-3-5-13(17)8-12/h3-8,15H,9H2,1-2H3/t15-/m0/s1
InChIKeyHBLIBOGMGFMGHD-HNNXBMFYSA-N
XLogP3.42
TPSA45.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R)-5-(5-methylfuran-2-yl)-3-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 973161
1-[(3S)-3,5-bis(3-fluorophenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 97310245
1-[(3S)-3-(1,3-benzodioxol-5-yl)-5-(5-methylfuran-2-yl)-3,4-dihydropyrazol-2-yl]ethanone
CID 97182955
N-[3-[2-acetyl-3-(3-fluorophenyl)-3,4-dihydropyrazol-5-yl]phenyl]acetamide
CID 71844547
N-[2-[2-acetyl-3-(3-fluorophenyl)-3,4-dihydropyrazol-5-yl]phenyl]benzenesulfonamide
CID 75510791
1-[(3R)-3-(3-bromophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone
CID 97092958
1-[3-(3-chlorophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone
CID 86820159
N-[3-[2-acetyl-5-(furan-2-yl)-3,4-dihydropyrazol-3-yl]phenyl]acetamide
CID 75510806
3-[(3S)-2-acetyl-3-(3-fluorophenyl)-3,4-dihydropyrazol-5-yl]-7-methyl-4-phenyl-1H-quinolin-2-one
CID 136718631
4-[(3R)-3-(3-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
CID 96543050
1-[(3S)-5-(4-methoxyphenyl)-3-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 97072186
1-[(3R)-5-(1,3-benzodioxol-5-yl)-3-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 96541933

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-(3-fluorophenyl)-5-(5-methylfuran-2-yl)-3,4-dihydropyrazol-2-yl]ethanone?
The IUPAC name of 1-[(3S)-3-(3-fluorophenyl)-5-(5-methylfuran-2-yl)-3,4-dihydropyrazol-2-yl]ethanone (CID 7088905) is 1-[(3S)-3-(3-fluorophenyl)-5-(5-methylfuran-2-yl)-3,4-dihydropyrazol-2-yl]ethanone.
What is the SMILES notation for 1-[(3S)-3-(3-fluorophenyl)-5-(5-methylfuran-2-yl)-3,4-dihydropyrazol-2-yl]ethanone?
The canonical SMILES for 1-[(3S)-3-(3-fluorophenyl)-5-(5-methylfuran-2-yl)-3,4-dihydropyrazol-2-yl]ethanone is CC(=O)N1N=C(c2ccc(C)o2)C[C@H]1c1cccc(F)c1.
What is the InChIKey of 1-[(3S)-3-(3-fluorophenyl)-5-(5-methylfuran-2-yl)-3,4-dihydropyrazol-2-yl]ethanone?
The InChIKey is HBLIBOGMGFMGHD-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H15FN2O2/c1-10-6-7-16(21-10)14-9-15(19(18-14)11(2)20)12-4-3-5-13(17)8-12/h3-8,15H,9H2,1-2H3/t15-/m0/s1.
What are the key properties of 1-[(3S)-3-(3-fluorophenyl)-5-(5-methylfuran-2-yl)-3,4-dihydropyrazol-2-yl]ethanone?
1-[(3S)-3-(3-fluorophenyl)-5-(5-methylfuran-2-yl)-3,4-dihydropyrazol-2-yl]ethanone has a molecular weight of 286.31 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-(3-fluorophenyl)-5-(5-methylfuran-2-yl)-3,4-dihydropyrazol-2-yl]ethanone is sourced from PubChem (CID 7088905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).