1-amino-3-(4-ethylphenyl)-1-(1-methylpyrazol-4-yl)propan-2-one

C15H19N3O — CID 116604871

IUPAC1-amino-3-(4-ethylphenyl)-1-(1-methylpyrazol-4-yl)propan-2-one
SMILESCCc1ccc(CC(=O)C(N)c2cnn(C)c2)cc1
InChIInChI=1S/C15H19N3O/c1-3-11-4-6-12(7-5-11)8-14(19)15(16)13-9-17-18(2)10-13/h4-7,9-10,15H,3,8,16H2,1-2H3
InChIKeyWIYQNQYELNUBQX-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.79
Rot. Bonds5

About 1-amino-3-(4-ethylphenyl)-1-(1-methylpyrazol-4-yl)propan-2-one

1-amino-3-(4-ethylphenyl)-1-(1-methylpyrazol-4-yl)propan-2-one (PubChem CID 116604871) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-amino-3-(4-ethylphenyl)-1-(1-methylpyrazol-4-yl)propan-2-one.

Molecular Properties

Compound Name1-amino-3-(4-ethylphenyl)-1-(1-methylpyrazol-4-yl)propan-2-one
PubChem CID116604871
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-amino-3-(4-ethylphenyl)-1-(1-methylpyrazol-4-yl)propan-2-one
SMILESCCc1ccc(CC(=O)C(N)c2cnn(C)c2)cc1
InChIInChI=1S/C15H19N3O/c1-3-11-4-6-12(7-5-11)8-14(19)15(16)13-9-17-18(2)10-13/h4-7,9-10,15H,3,8,16H2,1-2H3
InChIKeyWIYQNQYELNUBQX-UHFFFAOYSA-N
XLogP1.79
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[(4-ethylphenyl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)acetamide
CID 115289817
1-amino-1-(1-methylpyrazol-4-yl)-3-naphthalen-1-ylpropan-2-one
CID 116604835
1-amino-3-(5-chlorothiophen-2-yl)-1-(1-methylpyrazol-4-yl)propan-2-one
CID 116604948
ethyl (2S)-2-amino-2-(1-methylpyrazol-4-yl)acetate
CID 93311142
2-(4-ethylphenyl)-1-(1-methylpyrazol-4-yl)ethanone
CID 65195914
1-amino-6-methyl-1-(1-methylpyrazol-4-yl)heptan-2-one
CID 116604936
2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-2-(1-methylpyrazol-4-yl)ethanone
CID 115290674
propan-2-yl 2-amino-2-(1-methylpyrazol-4-yl)acetate
CID 115288979
2-amino-N-[1-(diethylamino)propan-2-yl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115290558
2-amino-N-(3-methylpentan-3-yl)-2-(1-methylpyrazol-4-yl)acetamide
CID 106328550
2-amino-N-cyclopropyl-N-ethyl-2-(1-methylpyrazol-4-yl)acetamide
CID 115289735
4-amino-3-methyl-1-(1-methylpyrazol-4-yl)pentan-2-one
CID 116612324

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(4-ethylphenyl)-1-(1-methylpyrazol-4-yl)propan-2-one?
The IUPAC name of 1-amino-3-(4-ethylphenyl)-1-(1-methylpyrazol-4-yl)propan-2-one (CID 116604871) is 1-amino-3-(4-ethylphenyl)-1-(1-methylpyrazol-4-yl)propan-2-one.
What is the SMILES notation for 1-amino-3-(4-ethylphenyl)-1-(1-methylpyrazol-4-yl)propan-2-one?
The canonical SMILES for 1-amino-3-(4-ethylphenyl)-1-(1-methylpyrazol-4-yl)propan-2-one is CCc1ccc(CC(=O)C(N)c2cnn(C)c2)cc1.
What is the InChIKey of 1-amino-3-(4-ethylphenyl)-1-(1-methylpyrazol-4-yl)propan-2-one?
The InChIKey is WIYQNQYELNUBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-3-11-4-6-12(7-5-11)8-14(19)15(16)13-9-17-18(2)10-13/h4-7,9-10,15H,3,8,16H2,1-2H3.
What are the key properties of 1-amino-3-(4-ethylphenyl)-1-(1-methylpyrazol-4-yl)propan-2-one?
1-amino-3-(4-ethylphenyl)-1-(1-methylpyrazol-4-yl)propan-2-one has a molecular weight of 257.34 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(4-ethylphenyl)-1-(1-methylpyrazol-4-yl)propan-2-one is sourced from PubChem (CID 116604871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).