(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone

C17H20N6O — CID 96514397

About (5-methylpyrazolo[1,5-a]pyrimidin-3-yl)-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone

(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone (PubChem CID 96514397) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is (5-methylpyrazolo[1,5-a]pyrimidin-3-yl)-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (5-methylpyrazolo[1,5-a]pyrimidin-3-yl)-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
• PubChem CID: 96514397
• Molecular Formula: C17H20N6O
• Molecular Weight: 324.39 g/mol
• Exact Mass: 324.17
• IUPAC Name: (5-methylpyrazolo[1,5-a]pyrimidin-3-yl)-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
• SMILES: Cc1ccn2ncc(C(=O)N3CCC[C@@H](c4cc(C)[nH]n4)C3)c2n1
• InChI: InChI=1S/C17H20N6O/c1-11-5-7-23-16(19-11)14(9-18-23)17(24)22-6-3-4-13(10-22)15-8-12(2)20-21-15/h5,7-9,13H,3-4,6,10H2,1-2H3,(H,20,21)/t13-/m1/s1
• InChIKey: QCCUHCDUHATEDI-CYBMUJFWSA-N
• XLogP: 2.09
• TPSA: 79.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	324.39
LogP ≤ 5	2.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (5-methylpyrazolo[1,5-a]pyrimidin-3-yl)-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone?

The IUPAC name of (5-methylpyrazolo[1,5-a]pyrimidin-3-yl)-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone (CID 96514397) is (5-methylpyrazolo[1,5-a]pyrimidin-3-yl)-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone.

What is the SMILES notation for (5-methylpyrazolo[1,5-a]pyrimidin-3-yl)-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone?

The canonical SMILES for (5-methylpyrazolo[1,5-a]pyrimidin-3-yl)-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone is Cc1ccn2ncc(C(=O)N3CCC[C@@H](c4cc(C)[nH]n4)C3)c2n1.

What is the InChIKey of (5-methylpyrazolo[1,5-a]pyrimidin-3-yl)-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone?

The InChIKey is QCCUHCDUHATEDI-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20N6O/c1-11-5-7-23-16(19-11)14(9-18-23)17(24)22-6-3-4-13(10-22)15-8-12(2)20-21-15/h5,7-9,13H,3-4,6,10H2,1-2H3,(H,20,21)/t13-/m1/s1.

What are the key properties of (5-methylpyrazolo[1,5-a]pyrimidin-3-yl)-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone?

(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 324.39 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5-methylpyrazolo[1,5-a]pyrimidin-3-yl)-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 96514397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).