1-[3-(3-fluoro-4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2,2-dimethylpropan-1-one

C15H19FN2O — CID 122703570

IUPAC1-[3-(3-fluoro-4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2,2-dimethylpropan-1-one
SMILESCc1ccc(C2CC=NN2C(=O)C(C)(C)C)cc1F
InChIInChI=1S/C15H19FN2O/c1-10-5-6-11(9-12(10)16)13-7-8-17-18(13)14(19)15(2,3)4/h5-6,8-9,13H,7H2,1-4H3
InChIKeyHQYSQWJSFUUTDQ-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.44
Rot. Bonds1

About 1-[3-(3-fluoro-4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2,2-dimethylpropan-1-one

1-[3-(3-fluoro-4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2,2-dimethylpropan-1-one (PubChem CID 122703570) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is 1-[3-(3-fluoro-4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[3-(3-fluoro-4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2,2-dimethylpropan-1-one
PubChem CID122703570
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name1-[3-(3-fluoro-4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2,2-dimethylpropan-1-one
SMILESCc1ccc(C2CC=NN2C(=O)C(C)(C)C)cc1F
InChIInChI=1S/C15H19FN2O/c1-10-5-6-11(9-12(10)16)13-7-8-17-18(13)14(19)15(2,3)4/h5-6,8-9,13H,7H2,1-4H3
InChIKeyHQYSQWJSFUUTDQ-UHFFFAOYSA-N
XLogP3.44
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-acetyl-3,5-diphenyl-4,5-dihydro-(1H)-pyrazole
CID 207753
(S)-2,2-Dimethyl-1-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)propan-1-one
CID 122703613
1-Benzyl-3-methyl-2-pyrazolin-5-one
CID 70349
Cyclohexyl(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)methanone
CID 3078480
1-[3-(2,5-difluorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
CID 10149544
1-[3-(2,5-difluorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-2,2-dimethylpropan-1-one
CID 24901490
1-[3-(3-Fluorophenyl)-3,4-dihydropyrazol-2-yl]-2,2-dimethylpropan-1-one
CID 122703743
1-(3,5-Diphenyl-4,5-dihydro-pyrazol-1-yl)-propan-1-one
CID 3095456
(S)-1-(3-(2,5-difluorophenyl)-5-phenyl-4,5-dihydropyrazol-1-yl)ethanone
CID 44426731
1-[4-(3-Phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]ethanone
CID 122703578
Cyclopentyl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
CID 122703585
Cyclobutyl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
CID 122703599

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-fluoro-4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[3-(3-fluoro-4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2,2-dimethylpropan-1-one (CID 122703570) is 1-[3-(3-fluoro-4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[3-(3-fluoro-4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[3-(3-fluoro-4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2,2-dimethylpropan-1-one is Cc1ccc(C2CC=NN2C(=O)C(C)(C)C)cc1F.
What is the InChIKey of 1-[3-(3-fluoro-4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2,2-dimethylpropan-1-one?
The InChIKey is HQYSQWJSFUUTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c1-10-5-6-11(9-12(10)16)13-7-8-17-18(13)14(19)15(2,3)4/h5-6,8-9,13H,7H2,1-4H3.
What are the key properties of 1-[3-(3-fluoro-4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2,2-dimethylpropan-1-one?
1-[3-(3-fluoro-4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2,2-dimethylpropan-1-one has a molecular weight of 262.33 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-fluoro-4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 122703570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).