N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H21N5OS — CID 32635611

About N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 32635611) has the molecular formula C17H21N5OS and a molecular weight of 343.46 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 32635611
• Molecular Formula: C17H21N5OS
• Molecular Weight: 343.46 g/mol
• Exact Mass: 343.15
• IUPAC Name: N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: Cc1cc(C)n2ncc(C(=O)NC[C@H](c3ccsc3)N(C)C)c2n1
• InChI: InChI=1S/C17H21N5OS/c1-11-7-12(2)22-16(20-11)14(8-19-22)17(23)18-9-15(21(3)4)13-5-6-24-10-13/h5-8,10,15H,9H2,1-4H3,(H,18,23)/t15-/m1/s1
• InChIKey: SBAHCZUBAIELMH-OAHLLOKOSA-N
• XLogP: 2.44
• TPSA: 62.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	343.46
LogP ≤ 5	2.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 32635611) is N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(C)n2ncc(C(=O)NC[C@H](c3ccsc3)N(C)C)c2n1.

What is the InChIKey of N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is SBAHCZUBAIELMH-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H21N5OS/c1-11-7-12(2)22-16(20-11)14(8-19-22)17(23)18-9-15(21(3)4)13-5-6-24-10-13/h5-8,10,15H,9H2,1-4H3,(H,18,23)/t15-/m1/s1.

What are the key properties of N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 343.46 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 32635611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).