2-[5-(2-methylpiperidin-1-yl)-1H-pyrazol-4-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylbutan-1-one

C19H24N6O — CID 123477170

IUPAC2-[5-(2-methylpiperidin-1-yl)-1H-pyrazol-4-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylbutan-1-one
SMILESCCC(C(=O)c1cnn2cccnc12)c1cn[nH]c1N1CCCCC1C
InChIInChI=1S/C19H24N6O/c1-3-14(17(26)16-12-22-25-10-6-8-20-18(16)25)15-11-21-23-19(15)24-9-5-4-7-13(24)2/h6,8,10-14H,3-5,7,9H2,1-2H3,(H,21,23)
InChIKeyMDGHASPWDQEIAX-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.21
Rot. Bonds5

About 2-[5-(2-methylpiperidin-1-yl)-1H-pyrazol-4-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylbutan-1-one

2-[5-(2-methylpiperidin-1-yl)-1H-pyrazol-4-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylbutan-1-one (PubChem CID 123477170) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is 2-[5-(2-methylpiperidin-1-yl)-1H-pyrazol-4-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylbutan-1-one.

Molecular Properties

Compound Name2-[5-(2-methylpiperidin-1-yl)-1H-pyrazol-4-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylbutan-1-one
PubChem CID123477170
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name2-[5-(2-methylpiperidin-1-yl)-1H-pyrazol-4-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylbutan-1-one
SMILESCCC(C(=O)c1cnn2cccnc12)c1cn[nH]c1N1CCCCC1C
InChIInChI=1S/C19H24N6O/c1-3-14(17(26)16-12-22-25-10-6-8-20-18(16)25)15-11-21-23-19(15)24-9-5-4-7-13(24)2/h6,8,10-14H,3-5,7,9H2,1-2H3,(H,21,23)
InChIKeyMDGHASPWDQEIAX-UHFFFAOYSA-N
XLogP3.21
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
CID 71926845
[4-(1-Methylpyrazol-4-yl)piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 127339721
2-[3-(3,3-Difluoropiperidin-1-yl)-1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylbutan-1-one
CID 123672887
2-[1-(2-Hydroxy-2-methylpropyl)-3-(2-methylpyrrolidin-1-yl)pyrazol-4-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylethanone
CID 70801962
(Z)-3-[5-(3,3-dimethylpiperidin-1-yl)-1H-pyrazol-4-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylprop-2-en-1-one
CID 70801972
1-[1-(2-Hydroxy-2-methylpropyl)-4-(2-oxo-2-pyrazolo[1,5-a]pyrimidin-3-ylethyl)pyrazol-3-yl]piperidine-3-carbonitrile
CID 70801973
2-[5-(4-hydroxypiperidin-1-yl)-1H-pyrazol-4-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylethanone
CID 70801978
(Z)-3-[5-(2-methylpiperidin-1-yl)-1H-pyrazol-4-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylprop-2-en-1-one
CID 70801995
2-[5-[1-(3-methylcyclohexyl)ethyl]-1H-pyrazol-4-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylbutan-1-one
CID 123255719
2-[1-(2-Hydroxy-2-methylpropyl)-3-(3-prop-2-enylpiperidin-1-yl)pyrazol-4-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylbutan-1-one
CID 123379497
2-[1-(2-Hydroxy-2-methylpropyl)-3-(2-methylpiperidin-1-yl)pyrazol-4-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylbutan-1-one
CID 123412961
1-[1-(2-Hydroxy-2-methylpropyl)-4-(1-oxo-1-pyrazolo[1,5-a]pyrimidin-3-ylbutan-2-yl)pyrazol-3-yl]piperidine-3-carbonitrile
CID 123479497

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-methylpiperidin-1-yl)-1H-pyrazol-4-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylbutan-1-one?
The IUPAC name of 2-[5-(2-methylpiperidin-1-yl)-1H-pyrazol-4-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylbutan-1-one (CID 123477170) is 2-[5-(2-methylpiperidin-1-yl)-1H-pyrazol-4-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylbutan-1-one.
What is the SMILES notation for 2-[5-(2-methylpiperidin-1-yl)-1H-pyrazol-4-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylbutan-1-one?
The canonical SMILES for 2-[5-(2-methylpiperidin-1-yl)-1H-pyrazol-4-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylbutan-1-one is CCC(C(=O)c1cnn2cccnc12)c1cn[nH]c1N1CCCCC1C.
What is the InChIKey of 2-[5-(2-methylpiperidin-1-yl)-1H-pyrazol-4-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylbutan-1-one?
The InChIKey is MDGHASPWDQEIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O/c1-3-14(17(26)16-12-22-25-10-6-8-20-18(16)25)15-11-21-23-19(15)24-9-5-4-7-13(24)2/h6,8,10-14H,3-5,7,9H2,1-2H3,(H,21,23).
What are the key properties of 2-[5-(2-methylpiperidin-1-yl)-1H-pyrazol-4-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylbutan-1-one?
2-[5-(2-methylpiperidin-1-yl)-1H-pyrazol-4-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylbutan-1-one has a molecular weight of 352.44 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-methylpiperidin-1-yl)-1H-pyrazol-4-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylbutan-1-one is sourced from PubChem (CID 123477170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).