2,2-dimethyl-1-[3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one

C15H20N2O — CID 122703665

IUPAC2,2-dimethyl-1-[3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one
SMILESCc1ccc(C2CC=NN2C(=O)C(C)(C)C)cc1
InChIInChI=1S/C15H20N2O/c1-11-5-7-12(8-6-11)13-9-10-16-17(13)14(18)15(2,3)4/h5-8,10,13H,9H2,1-4H3
InChIKeyCOPPPPNYFFXBEN-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.30
Rot. Bonds1

About 2,2-dimethyl-1-[3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one

2,2-dimethyl-1-[3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one (PubChem CID 122703665) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2,2-dimethyl-1-[3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one
PubChem CID122703665
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2,2-dimethyl-1-[3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one
SMILESCc1ccc(C2CC=NN2C(=O)C(C)(C)C)cc1
InChIInChI=1S/C15H20N2O/c1-11-5-7-12(8-6-11)13-9-10-16-17(13)14(18)15(2,3)4/h5-8,10,13H,9H2,1-4H3
InChIKeyCOPPPPNYFFXBEN-UHFFFAOYSA-N
XLogP3.30
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.30
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]-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
2-(4-Ethylpiperazin-1-yl)-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 4886386
1-(3-phenyl-5-o-tolyl-4,5-dihydro-1H-pyrazol-1-yl)ethanone
CID 11529216
1-Propyl-2-acryloyl-1,2-dihydrophthalazine
CID 53323344
1-[3-(3-Fluoro-4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2,2-dimethylpropan-1-one
CID 122703570
1-[4-(3-Phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]ethanone
CID 122703578

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one (CID 122703665) is 2,2-dimethyl-1-[3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one is Cc1ccc(C2CC=NN2C(=O)C(C)(C)C)cc1.
What is the InChIKey of 2,2-dimethyl-1-[3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one?
The InChIKey is COPPPPNYFFXBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11-5-7-12(8-6-11)13-9-10-16-17(13)14(18)15(2,3)4/h5-8,10,13H,9H2,1-4H3.
What are the key properties of 2,2-dimethyl-1-[3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one?
2,2-dimethyl-1-[3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one has a molecular weight of 244.34 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one is sourced from PubChem (CID 122703665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).