1-[1-(4-aminophenyl)cyclopropyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone

C17H21N3O — CID 116611736

IUPAC1-[1-(4-aminophenyl)cyclopropyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone
SMILESCCc1cc(CC(=O)C2(c3ccc(N)cc3)CC2)n(C)n1
InChIInChI=1S/C17H21N3O/c1-3-14-10-15(20(2)19-14)11-16(21)17(8-9-17)12-4-6-13(18)7-5-12/h4-7,10H,3,8-9,11,18H2,1-2H3
InChIKeyQTLLAYNLKIBAMU-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.41
Rot. Bonds5

About 1-[1-(4-aminophenyl)cyclopropyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone

1-[1-(4-aminophenyl)cyclopropyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone (PubChem CID 116611736) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-[1-(4-aminophenyl)cyclopropyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-[1-(4-aminophenyl)cyclopropyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone
PubChem CID116611736
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name1-[1-(4-aminophenyl)cyclopropyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone
SMILESCCc1cc(CC(=O)C2(c3ccc(N)cc3)CC2)n(C)n1
InChIInChI=1S/C17H21N3O/c1-3-14-10-15(20(2)19-14)11-16(21)17(8-9-17)12-4-6-13(18)7-5-12/h4-7,10H,3,8-9,11,18H2,1-2H3
InChIKeyQTLLAYNLKIBAMU-UHFFFAOYSA-N
XLogP2.41
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-aminophenyl)cyclopropyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone?
The IUPAC name of 1-[1-(4-aminophenyl)cyclopropyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone (CID 116611736) is 1-[1-(4-aminophenyl)cyclopropyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone.
What is the SMILES notation for 1-[1-(4-aminophenyl)cyclopropyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone?
The canonical SMILES for 1-[1-(4-aminophenyl)cyclopropyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone is CCc1cc(CC(=O)C2(c3ccc(N)cc3)CC2)n(C)n1.
What is the InChIKey of 1-[1-(4-aminophenyl)cyclopropyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone?
The InChIKey is QTLLAYNLKIBAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-3-14-10-15(20(2)19-14)11-16(21)17(8-9-17)12-4-6-13(18)7-5-12/h4-7,10H,3,8-9,11,18H2,1-2H3.
What are the key properties of 1-[1-(4-aminophenyl)cyclopropyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone?
1-[1-(4-aminophenyl)cyclopropyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone has a molecular weight of 283.38 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-aminophenyl)cyclopropyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone is sourced from PubChem (CID 116611736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).