1-[2-amino-5-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethanone

C15H19N3O — CID 104613148

IUPAC1-[2-amino-5-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethanone
SMILESCCc1c(C)nn(-c2ccc(N)c(C(C)=O)c2)c1C
InChIInChI=1S/C15H19N3O/c1-5-13-9(2)17-18(10(13)3)12-6-7-15(16)14(8-12)11(4)19/h6-8H,5,16H2,1-4H3
InChIKeyQZIMVWNOVCKSSJ-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.84
Rot. Bonds3

About 1-[2-amino-5-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethanone

1-[2-amino-5-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethanone (PubChem CID 104613148) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-[2-amino-5-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-amino-5-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethanone
PubChem CID104613148
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-[2-amino-5-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethanone
SMILESCCc1c(C)nn(-c2ccc(N)c(C(C)=O)c2)c1C
InChIInChI=1S/C15H19N3O/c1-5-13-9(2)17-18(10(13)3)12-6-7-15(16)14(8-12)11(4)19/h6-8H,5,16H2,1-4H3
InChIKeyQZIMVWNOVCKSSJ-UHFFFAOYSA-N
XLogP2.84
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[3-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethanone
CID 79168257
1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethanone
CID 61237598
ethyl 2-amino-5-(3,4,5-trimethylpyrazol-1-yl)benzoate
CID 61311326
2-amino-5-(3,4,5-trimethylpyrazol-1-yl)benzoic acid
CID 61237756
1-[2-amino-4-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethanone
CID 104529178
benzyl 2-chloro-5-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzoate
CID 50888343
methyl 2-amino-5-(3,4,5-trimethylpyrazol-1-yl)benzoate
CID 61311141
5-amino-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzamide
CID 61312649
1-[3-bromo-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethanone
CID 55131104
2-chloro-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N'-hydroxybenzenecarboximidamide
CID 76981750
4-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzaldehyde
CID 61238841
1-(4-chlorophenyl)-4-ethyl-3,5-dimethylpyrazole
CID 50888250

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-5-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethanone?
The IUPAC name of 1-[2-amino-5-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethanone (CID 104613148) is 1-[2-amino-5-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethanone.
What is the SMILES notation for 1-[2-amino-5-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethanone?
The canonical SMILES for 1-[2-amino-5-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethanone is CCc1c(C)nn(-c2ccc(N)c(C(C)=O)c2)c1C.
What is the InChIKey of 1-[2-amino-5-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethanone?
The InChIKey is QZIMVWNOVCKSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-5-13-9(2)17-18(10(13)3)12-6-7-15(16)14(8-12)11(4)19/h6-8H,5,16H2,1-4H3.
What are the key properties of 1-[2-amino-5-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethanone?
1-[2-amino-5-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethanone has a molecular weight of 257.34 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-5-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethanone is sourced from PubChem (CID 104613148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).