[2-(2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone

C17H20N6O — CID 110118434

IUPAC[2-(2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCc1cc2nc(C3CCCCN3C(=O)c3ccnn3C)ccn2n1
InChIInChI=1S/C17H20N6O/c1-12-11-16-19-13(7-10-23(16)20-12)14-5-3-4-9-22(14)17(24)15-6-8-18-21(15)2/h6-8,10-11,14H,3-5,9H2,1-2H3
InChIKeyMNCUMOASWICMMH-UHFFFAOYSA-N
MW324.39 g/mol
LogP2.14
Rot. Bonds2

About [2-(2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone

[2-(2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone (PubChem CID 110118434) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is [2-(2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[2-(2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
PubChem CID110118434
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name[2-(2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCc1cc2nc(C3CCCCN3C(=O)c3ccnn3C)ccn2n1
InChIInChI=1S/C17H20N6O/c1-12-11-16-19-13(7-10-23(16)20-12)14-5-3-4-9-22(14)17(24)15-6-8-18-21(15)2/h6-8,10-11,14H,3-5,9H2,1-2H3
InChIKeyMNCUMOASWICMMH-UHFFFAOYSA-N
XLogP2.14
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 110118350
(2-methylpyrazol-3-yl)-[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 22586742
(3,5-dimethyl-1,2-oxazol-4-yl)-(2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)methanone
CID 110118399
(2-methylpyrazol-3-yl)-[2-(6-phenoxy-2-pyridinyl)pyrrolidin-1-yl]methanone
CID 110270300
[2-[4-(4-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 110270298
methyl (2R)-1-(2-methylpyrazole-3-carbonyl)piperidine-2-carboxylate
CID 79834097
[3-(2-methylpropyl)-1,2-oxazol-5-yl]-[(2R)-2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl]methanone
CID 125026661
(2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)-quinolin-2-ylmethanone
CID 110118432
[(2S)-2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 125024045
pyrazolo[1,5-a]pyrimidin-3-yl-(2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)methanone
CID 110118394
[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 58029820
[2-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(2-propan-2-ylpyrazol-3-yl)methanone
CID 110092245

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The IUPAC name of [2-(2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone (CID 110118434) is [2-(2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [2-(2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The canonical SMILES for [2-(2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone is Cc1cc2nc(C3CCCCN3C(=O)c3ccnn3C)ccn2n1.
What is the InChIKey of [2-(2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The InChIKey is MNCUMOASWICMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-12-11-16-19-13(7-10-23(16)20-12)14-5-3-4-9-22(14)17(24)15-6-8-18-21(15)2/h6-8,10-11,14H,3-5,9H2,1-2H3.
What are the key properties of [2-(2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
[2-(2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone has a molecular weight of 324.39 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 110118434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).