1-(2,6-dimethylphenoxy)-3-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propan-2-ol

C19H27N3O2 — CID 56825201

IUPAC1-(2,6-dimethylphenoxy)-3-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propan-2-ol
SMILESCc1cccc(C)c1OCC(O)CN1CCCC1c1cnn(C)c1
InChIInChI=1S/C19H27N3O2/c1-14-6-4-7-15(2)19(14)24-13-17(23)12-22-9-5-8-18(22)16-10-20-21(3)11-16/h4,6-7,10-11,17-18,23H,5,8-9,12-13H2,1-3H3
InChIKeyNTDOWJSYGKRERU-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.61
Rot. Bonds6

About 1-(2,6-dimethylphenoxy)-3-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propan-2-ol

1-(2,6-dimethylphenoxy)-3-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propan-2-ol (PubChem CID 56825201) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-(2,6-dimethylphenoxy)-3-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(2,6-dimethylphenoxy)-3-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propan-2-ol
PubChem CID56825201
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name1-(2,6-dimethylphenoxy)-3-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propan-2-ol
SMILESCc1cccc(C)c1OCC(O)CN1CCCC1c1cnn(C)c1
InChIInChI=1S/C19H27N3O2/c1-14-6-4-7-15(2)19(14)24-13-17(23)12-22-9-5-8-18(22)16-10-20-21(3)11-16/h4,6-7,10-11,17-18,23H,5,8-9,12-13H2,1-3H3
InChIKeyNTDOWJSYGKRERU-UHFFFAOYSA-N
XLogP2.61
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2,6-dimethylphenoxy)-3-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propan-2-ol 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-(2,6-dimethylphenoxy)-3-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propan-2-ol?
The IUPAC name of 1-(2,6-dimethylphenoxy)-3-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propan-2-ol (CID 56825201) is 1-(2,6-dimethylphenoxy)-3-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propan-2-ol.
What is the SMILES notation for 1-(2,6-dimethylphenoxy)-3-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propan-2-ol?
The canonical SMILES for 1-(2,6-dimethylphenoxy)-3-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propan-2-ol is Cc1cccc(C)c1OCC(O)CN1CCCC1c1cnn(C)c1.
What is the InChIKey of 1-(2,6-dimethylphenoxy)-3-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propan-2-ol?
The InChIKey is NTDOWJSYGKRERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-14-6-4-7-15(2)19(14)24-13-17(23)12-22-9-5-8-18(22)16-10-20-21(3)11-16/h4,6-7,10-11,17-18,23H,5,8-9,12-13H2,1-3H3.
What are the key properties of 1-(2,6-dimethylphenoxy)-3-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propan-2-ol?
1-(2,6-dimethylphenoxy)-3-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propan-2-ol has a molecular weight of 329.44 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenoxy)-3-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propan-2-ol is sourced from PubChem (CID 56825201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).