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

C17H20N6O — CID 96514397

IUPAC(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
SMILESCc1ccn2ncc(C(=O)N3CCC[C@@H](c4cc(C)[nH]n4)C3)c2n1
InChIInChI=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
InChIKeyQCCUHCDUHATEDI-CYBMUJFWSA-N
MW324.39 g/mol
LogP2.09
Rot. Bonds2

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 CID96514397
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
SMILESCc1ccn2ncc(C(=O)N3CCC[C@@H](c4cc(C)[nH]n4)C3)c2n1
InChIInChI=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
InChIKeyQCCUHCDUHATEDI-CYBMUJFWSA-N
XLogP2.09
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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).