3-amino-2,2-dimethyl-1-(3-phenyl-3,4-dihydropyrazol-2-yl)propan-1-one

C14H19N3O — CID 155512296

IUPAC3-amino-2,2-dimethyl-1-(3-phenyl-3,4-dihydropyrazol-2-yl)propan-1-one
SMILESCC(C)(CN)C(=O)N1N=CCC1c1ccccc1
InChIInChI=1S/C14H19N3O/c1-14(2,10-15)13(18)17-12(8-9-16-17)11-6-4-3-5-7-11/h3-7,9,12H,8,10,15H2,1-2H3
InChIKeyGAJFODMYMGJOEB-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.93
Rot. Bonds3

About 3-amino-2,2-dimethyl-1-(3-phenyl-3,4-dihydropyrazol-2-yl)propan-1-one

3-amino-2,2-dimethyl-1-(3-phenyl-3,4-dihydropyrazol-2-yl)propan-1-one (PubChem CID 155512296) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-amino-2,2-dimethyl-1-(3-phenyl-3,4-dihydropyrazol-2-yl)propan-1-one.

Molecular Properties

Compound Name3-amino-2,2-dimethyl-1-(3-phenyl-3,4-dihydropyrazol-2-yl)propan-1-one
PubChem CID155512296
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name3-amino-2,2-dimethyl-1-(3-phenyl-3,4-dihydropyrazol-2-yl)propan-1-one
SMILESCC(C)(CN)C(=O)N1N=CCC1c1ccccc1
InChIInChI=1S/C14H19N3O/c1-14(2,10-15)13(18)17-12(8-9-16-17)11-6-4-3-5-7-11/h3-7,9,12H,8,10,15H2,1-2H3
InChIKeyGAJFODMYMGJOEB-UHFFFAOYSA-N
XLogP1.93
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(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-(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
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
Cyclopentyl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
CID 122703585
Cyclobutyl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
CID 122703599
1-[3-(3-Chlorophenyl)-3,4-dihydropyrazol-2-yl]-2,2-dimethylpropan-1-one
CID 122703644
1-[3-(4-Chlorophenyl)-3,4-dihydropyrazol-2-yl]-2,2-dimethylpropan-1-one
CID 122703656
2,2-Dimethyl-1-[3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one
CID 122703665

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2-dimethyl-1-(3-phenyl-3,4-dihydropyrazol-2-yl)propan-1-one?
The IUPAC name of 3-amino-2,2-dimethyl-1-(3-phenyl-3,4-dihydropyrazol-2-yl)propan-1-one (CID 155512296) is 3-amino-2,2-dimethyl-1-(3-phenyl-3,4-dihydropyrazol-2-yl)propan-1-one.
What is the SMILES notation for 3-amino-2,2-dimethyl-1-(3-phenyl-3,4-dihydropyrazol-2-yl)propan-1-one?
The canonical SMILES for 3-amino-2,2-dimethyl-1-(3-phenyl-3,4-dihydropyrazol-2-yl)propan-1-one is CC(C)(CN)C(=O)N1N=CCC1c1ccccc1.
What is the InChIKey of 3-amino-2,2-dimethyl-1-(3-phenyl-3,4-dihydropyrazol-2-yl)propan-1-one?
The InChIKey is GAJFODMYMGJOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-14(2,10-15)13(18)17-12(8-9-16-17)11-6-4-3-5-7-11/h3-7,9,12H,8,10,15H2,1-2H3.
What are the key properties of 3-amino-2,2-dimethyl-1-(3-phenyl-3,4-dihydropyrazol-2-yl)propan-1-one?
3-amino-2,2-dimethyl-1-(3-phenyl-3,4-dihydropyrazol-2-yl)propan-1-one has a molecular weight of 245.33 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2-dimethyl-1-(3-phenyl-3,4-dihydropyrazol-2-yl)propan-1-one is sourced from PubChem (CID 155512296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).