3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]propanamide

C23H25N5OS — CID 30786828

About 3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]propanamide

3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]propanamide (PubChem CID 30786828) has the molecular formula C23H25N5OS and a molecular weight of 419.55 g/mol. Its IUPAC name is 3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

• Compound Name: 3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]propanamide
• PubChem CID: 30786828
• Molecular Formula: C23H25N5OS
• Molecular Weight: 419.55 g/mol
• Exact Mass: 419.18
• IUPAC Name: 3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]propanamide
• SMILES: Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1nc(-c2ccc3c(c2)CCC3)cs1
• InChI: InChI=1S/C23H25N5OS/c1-15-20(16(2)28(27-15)12-4-11-24)9-10-22(29)26-23-25-21(14-30-23)19-8-7-17-5-3-6-18(17)13-19/h7-8,13-14H,3-6,9-10,12H2,1-2H3,(H,25,26,29)
• InChIKey: FZQBJXPGOVDYQL-UHFFFAOYSA-N
• XLogP: 4.60
• TPSA: 83.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.55
LogP ≤ 5	4.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]propanamide?

The IUPAC name of 3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]propanamide (CID 30786828) is 3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]propanamide.

What is the SMILES notation for 3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]propanamide?

The canonical SMILES for 3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]propanamide is Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1nc(-c2ccc3c(c2)CCC3)cs1.

What is the InChIKey of 3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]propanamide?

The InChIKey is FZQBJXPGOVDYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5OS/c1-15-20(16(2)28(27-15)12-4-11-24)9-10-22(29)26-23-25-21(14-30-23)19-8-7-17-5-3-6-18(17)13-19/h7-8,13-14H,3-6,9-10,12H2,1-2H3,(H,25,26,29).

What are the key properties of 3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]propanamide?

3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 419.55 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 30786828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).