5-pyrrolidin-1-yl-N-[4-(triazol-1-yl)butan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H22N8O — CID 142589408

About 5-pyrrolidin-1-yl-N-[4-(triazol-1-yl)butan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-pyrrolidin-1-yl-N-[4-(triazol-1-yl)butan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 142589408) has the molecular formula C17H22N8O and a molecular weight of 354.42 g/mol. Its IUPAC name is 5-pyrrolidin-1-yl-N-[4-(triazol-1-yl)butan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 5-pyrrolidin-1-yl-N-[4-(triazol-1-yl)butan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 142589408
• Molecular Formula: C17H22N8O
• Molecular Weight: 354.42 g/mol
• Exact Mass: 354.19
• IUPAC Name: 5-pyrrolidin-1-yl-N-[4-(triazol-1-yl)butan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CC(CCn1ccnn1)NC(=O)c1cnn2ccc(N3CCCC3)nc12
• InChI: InChI=1S/C17H22N8O/c1-13(4-9-24-11-6-18-22-24)20-17(26)14-12-19-25-10-5-15(21-16(14)25)23-7-2-3-8-23/h5-6,10-13H,2-4,7-9H2,1H3,(H,20,26)
• InChIKey: PSYPCTAQSDPUJP-UHFFFAOYSA-N
• XLogP: 1.13
• TPSA: 93.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.42
LogP ≤ 5	1.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-pyrrolidin-1-yl-N-[4-(triazol-1-yl)butan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 5-pyrrolidin-1-yl-N-[4-(triazol-1-yl)butan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 142589408) is 5-pyrrolidin-1-yl-N-[4-(triazol-1-yl)butan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 5-pyrrolidin-1-yl-N-[4-(triazol-1-yl)butan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 5-pyrrolidin-1-yl-N-[4-(triazol-1-yl)butan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(CCn1ccnn1)NC(=O)c1cnn2ccc(N3CCCC3)nc12.

What is the InChIKey of 5-pyrrolidin-1-yl-N-[4-(triazol-1-yl)butan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is PSYPCTAQSDPUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N8O/c1-13(4-9-24-11-6-18-22-24)20-17(26)14-12-19-25-10-5-15(21-16(14)25)23-7-2-3-8-23/h5-6,10-13H,2-4,7-9H2,1H3,(H,20,26).

What are the key properties of 5-pyrrolidin-1-yl-N-[4-(triazol-1-yl)butan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

5-pyrrolidin-1-yl-N-[4-(triazol-1-yl)butan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 354.42 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-pyrrolidin-1-yl-N-[4-(triazol-1-yl)butan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 142589408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).