1-[5-[[1-(4-methoxyphenyl)cyclopropyl]-methylamino]-1-methylpyrazol-3-yl]ethanone

C17H21N3O2 — CID 58202103

IUPAC1-[5-[[1-(4-methoxyphenyl)cyclopropyl]-methylamino]-1-methylpyrazol-3-yl]ethanone
SMILESCOc1ccc(C2(N(C)c3cc(C(C)=O)nn3C)CC2)cc1
InChIInChI=1S/C17H21N3O2/c1-12(21)15-11-16(20(3)18-15)19(2)17(9-10-17)13-5-7-14(22-4)8-6-13/h5-8,11H,9-10H2,1-4H3
InChIKeyWQBNCGHQEDAFPM-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.76
Rot. Bonds5

About 1-[5-[[1-(4-methoxyphenyl)cyclopropyl]-methylamino]-1-methylpyrazol-3-yl]ethanone

1-[5-[[1-(4-methoxyphenyl)cyclopropyl]-methylamino]-1-methylpyrazol-3-yl]ethanone (PubChem CID 58202103) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-[5-[[1-(4-methoxyphenyl)cyclopropyl]-methylamino]-1-methylpyrazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-[[1-(4-methoxyphenyl)cyclopropyl]-methylamino]-1-methylpyrazol-3-yl]ethanone
PubChem CID58202103
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name1-[5-[[1-(4-methoxyphenyl)cyclopropyl]-methylamino]-1-methylpyrazol-3-yl]ethanone
SMILESCOc1ccc(C2(N(C)c3cc(C(C)=O)nn3C)CC2)cc1
InChIInChI=1S/C17H21N3O2/c1-12(21)15-11-16(20(3)18-15)19(2)17(9-10-17)13-5-7-14(22-4)8-6-13/h5-8,11H,9-10H2,1-4H3
InChIKeyWQBNCGHQEDAFPM-UHFFFAOYSA-N
XLogP2.76
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[5-[[1-(4-methoxyphenyl)cyclopropyl]-methylamino]-1-methylpyrazol-3-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[1-(4-methoxyphenyl)cyclopropyl]-methylamino]-1-methylpyrazol-3-yl]ethanone?
The IUPAC name of 1-[5-[[1-(4-methoxyphenyl)cyclopropyl]-methylamino]-1-methylpyrazol-3-yl]ethanone (CID 58202103) is 1-[5-[[1-(4-methoxyphenyl)cyclopropyl]-methylamino]-1-methylpyrazol-3-yl]ethanone.
What is the SMILES notation for 1-[5-[[1-(4-methoxyphenyl)cyclopropyl]-methylamino]-1-methylpyrazol-3-yl]ethanone?
The canonical SMILES for 1-[5-[[1-(4-methoxyphenyl)cyclopropyl]-methylamino]-1-methylpyrazol-3-yl]ethanone is COc1ccc(C2(N(C)c3cc(C(C)=O)nn3C)CC2)cc1.
What is the InChIKey of 1-[5-[[1-(4-methoxyphenyl)cyclopropyl]-methylamino]-1-methylpyrazol-3-yl]ethanone?
The InChIKey is WQBNCGHQEDAFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12(21)15-11-16(20(3)18-15)19(2)17(9-10-17)13-5-7-14(22-4)8-6-13/h5-8,11H,9-10H2,1-4H3.
What are the key properties of 1-[5-[[1-(4-methoxyphenyl)cyclopropyl]-methylamino]-1-methylpyrazol-3-yl]ethanone?
1-[5-[[1-(4-methoxyphenyl)cyclopropyl]-methylamino]-1-methylpyrazol-3-yl]ethanone has a molecular weight of 299.37 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[1-(4-methoxyphenyl)cyclopropyl]-methylamino]-1-methylpyrazol-3-yl]ethanone is sourced from PubChem (CID 58202103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).