(2,2-dimethylpyrrolidin-1-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone

C17H21N3O2 — CID 86768279

IUPAC(2,2-dimethylpyrrolidin-1-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone
SMILESCOc1ccc(-n2ccc(C(=O)N3CCCC3(C)C)n2)cc1
InChIInChI=1S/C17H21N3O2/c1-17(2)10-4-11-19(17)16(21)15-9-12-20(18-15)13-5-7-14(22-3)8-6-13/h5-9,12H,4,10-11H2,1-3H3
InChIKeyQBBUHHPYRULIIM-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.90
Rot. Bonds3

About (2,2-dimethylpyrrolidin-1-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone

(2,2-dimethylpyrrolidin-1-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone (PubChem CID 86768279) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is (2,2-dimethylpyrrolidin-1-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone.

Molecular Properties

Compound Name(2,2-dimethylpyrrolidin-1-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone
PubChem CID86768279
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name(2,2-dimethylpyrrolidin-1-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone
SMILESCOc1ccc(-n2ccc(C(=O)N3CCCC3(C)C)n2)cc1
InChIInChI=1S/C17H21N3O2/c1-17(2)10-4-11-19(17)16(21)15-9-12-20(18-15)13-5-7-14(22-3)8-6-13/h5-9,12H,4,10-11H2,1-3H3
InChIKeyQBBUHHPYRULIIM-UHFFFAOYSA-N
XLogP2.90
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2,2-dimethylpyrrolidin-1-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone 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 (2,2-dimethylpyrrolidin-1-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone?
The IUPAC name of (2,2-dimethylpyrrolidin-1-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone (CID 86768279) is (2,2-dimethylpyrrolidin-1-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone.
What is the SMILES notation for (2,2-dimethylpyrrolidin-1-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone?
The canonical SMILES for (2,2-dimethylpyrrolidin-1-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone is COc1ccc(-n2ccc(C(=O)N3CCCC3(C)C)n2)cc1.
What is the InChIKey of (2,2-dimethylpyrrolidin-1-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone?
The InChIKey is QBBUHHPYRULIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-17(2)10-4-11-19(17)16(21)15-9-12-20(18-15)13-5-7-14(22-3)8-6-13/h5-9,12H,4,10-11H2,1-3H3.
What are the key properties of (2,2-dimethylpyrrolidin-1-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone?
(2,2-dimethylpyrrolidin-1-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone has a molecular weight of 299.37 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylpyrrolidin-1-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone is sourced from PubChem (CID 86768279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).