N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H23N7O — CID 128989490

About N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 128989490) has the molecular formula C18H23N7O and a molecular weight of 353.43 g/mol. Its IUPAC name is N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 128989490
• Molecular Formula: C18H23N7O
• Molecular Weight: 353.43 g/mol
• Exact Mass: 353.20
• IUPAC Name: N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CN1CCC[C@@H](CNC(=O)c2cnn3cccnc23)[C@@H]1c1ccnn1C
• InChI: InChI=1S/C18H23N7O/c1-23-9-3-5-13(16(23)15-6-8-21-24(15)2)11-20-18(26)14-12-22-25-10-4-7-19-17(14)25/h4,6-8,10,12-13,16H,3,5,9,11H2,1-2H3,(H,20,26)/t13-,16+/m0/s1
• InChIKey: XTQVZUNXIQQBJC-XJKSGUPXSA-N
• XLogP: 1.28
• TPSA: 80.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	353.43
LogP ≤ 5	1.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 128989490) is N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN1CCC[C@@H](CNC(=O)c2cnn3cccnc23)[C@@H]1c1ccnn1C.

What is the InChIKey of N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is XTQVZUNXIQQBJC-XJKSGUPXSA-N. The full InChI is InChI=1S/C18H23N7O/c1-23-9-3-5-13(16(23)15-6-8-21-24(15)2)11-20-18(26)14-12-22-25-10-4-7-19-17(14)25/h4,6-8,10,12-13,16H,3,5,9,11H2,1-2H3,(H,20,26)/t13-,16+/m0/s1.

What are the key properties of N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 128989490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).