2-(2,3-dimethylphenoxy)-N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)acetamide

C19H26N4O2 — CID 134707045

IUPAC2-(2,3-dimethylphenoxy)-N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)acetamide
SMILESCc1cccc(OCC(=O)Nc2c(N3CCCC3)nn(C)c2C)c1C
InChIInChI=1S/C19H26N4O2/c1-13-8-7-9-16(14(13)2)25-12-17(24)20-18-15(3)22(4)21-19(18)23-10-5-6-11-23/h7-9H,5-6,10-12H2,1-4H3,(H,20,24)
InChIKeyHXGCYWVKVKEFNN-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.96
Rot. Bonds5

About 2-(2,3-dimethylphenoxy)-N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)acetamide

2-(2,3-dimethylphenoxy)-N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)acetamide (PubChem CID 134707045) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-(2,3-dimethylphenoxy)-N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(2,3-dimethylphenoxy)-N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)acetamide
PubChem CID134707045
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name2-(2,3-dimethylphenoxy)-N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)acetamide
SMILESCc1cccc(OCC(=O)Nc2c(N3CCCC3)nn(C)c2C)c1C
InChIInChI=1S/C19H26N4O2/c1-13-8-7-9-16(14(13)2)25-12-17(24)20-18-15(3)22(4)21-19(18)23-10-5-6-11-23/h7-9H,5-6,10-12H2,1-4H3,(H,20,24)
InChIKeyHXGCYWVKVKEFNN-UHFFFAOYSA-N
XLogP2.96
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenoxy)-N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)acetamide?
The IUPAC name of 2-(2,3-dimethylphenoxy)-N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)acetamide (CID 134707045) is 2-(2,3-dimethylphenoxy)-N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(2,3-dimethylphenoxy)-N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-(2,3-dimethylphenoxy)-N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)acetamide is Cc1cccc(OCC(=O)Nc2c(N3CCCC3)nn(C)c2C)c1C.
What is the InChIKey of 2-(2,3-dimethylphenoxy)-N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)acetamide?
The InChIKey is HXGCYWVKVKEFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-13-8-7-9-16(14(13)2)25-12-17(24)20-18-15(3)22(4)21-19(18)23-10-5-6-11-23/h7-9H,5-6,10-12H2,1-4H3,(H,20,24).
What are the key properties of 2-(2,3-dimethylphenoxy)-N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)acetamide?
2-(2,3-dimethylphenoxy)-N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)acetamide has a molecular weight of 342.44 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenoxy)-N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)acetamide is sourced from PubChem (CID 134707045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).