3-(2,3-dimethoxyphenyl)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

C17H23N3O3 — CID 47007404

IUPAC3-(2,3-dimethoxyphenyl)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCOc1cccc(CCC(=O)Nc2c(C)nn(C)c2C)c1OC
InChIInChI=1S/C17H23N3O3/c1-11-16(12(2)20(3)19-11)18-15(21)10-9-13-7-6-8-14(22-4)17(13)23-5/h6-8H,9-10H2,1-5H3,(H,18,21)
InChIKeyXCAZUOUYGBMCRT-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.63
Rot. Bonds6

About 3-(2,3-dimethoxyphenyl)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

3-(2,3-dimethoxyphenyl)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 47007404) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 3-(2,3-dimethoxyphenyl)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name3-(2,3-dimethoxyphenyl)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID47007404
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name3-(2,3-dimethoxyphenyl)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCOc1cccc(CCC(=O)Nc2c(C)nn(C)c2C)c1OC
InChIInChI=1S/C17H23N3O3/c1-11-16(12(2)20(3)19-11)18-15(21)10-9-13-7-6-8-14(22-4)17(13)23-5/h6-8H,9-10H2,1-5H3,(H,18,21)
InChIKeyXCAZUOUYGBMCRT-UHFFFAOYSA-N
XLogP2.63
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethoxyphenyl)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of 3-(2,3-dimethoxyphenyl)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 47007404) is 3-(2,3-dimethoxyphenyl)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for 3-(2,3-dimethoxyphenyl)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for 3-(2,3-dimethoxyphenyl)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide is COc1cccc(CCC(=O)Nc2c(C)nn(C)c2C)c1OC.
What is the InChIKey of 3-(2,3-dimethoxyphenyl)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is XCAZUOUYGBMCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-11-16(12(2)20(3)19-11)18-15(21)10-9-13-7-6-8-14(22-4)17(13)23-5/h6-8H,9-10H2,1-5H3,(H,18,21).
What are the key properties of 3-(2,3-dimethoxyphenyl)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
3-(2,3-dimethoxyphenyl)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 317.39 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethoxyphenyl)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 47007404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).