5-butan-2-yl-6-methyl-2-piperidin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C16H24N4O — CID 123550741

IUPAC5-butan-2-yl-6-methyl-2-piperidin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCC(C)c1nc2cc(C3CCCCN3)[nH]n2c(=O)c1C
InChIInChI=1S/C16H24N4O/c1-4-10(2)15-11(3)16(21)20-14(18-15)9-13(19-20)12-7-5-6-8-17-12/h9-10,12,17,19H,4-8H2,1-3H3
InChIKeyQFMKNSNWQZFHCT-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.66
Rot. Bonds3

About 5-butan-2-yl-6-methyl-2-piperidin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-butan-2-yl-6-methyl-2-piperidin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 123550741) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 5-butan-2-yl-6-methyl-2-piperidin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-butan-2-yl-6-methyl-2-piperidin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID123550741
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name5-butan-2-yl-6-methyl-2-piperidin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCC(C)c1nc2cc(C3CCCCN3)[nH]n2c(=O)c1C
InChIInChI=1S/C16H24N4O/c1-4-10(2)15-11(3)16(21)20-14(18-15)9-13(19-20)12-7-5-6-8-17-12/h9-10,12,17,19H,4-8H2,1-3H3
InChIKeyQFMKNSNWQZFHCT-UHFFFAOYSA-N
XLogP2.66
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-butan-2-yl-6-methyl-2-piperidin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one with MolForge

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Related Compounds

5,6-dimethyl-2-[(2S)-piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride
CID 66624816
11-propan-2-yl-5-[(2R)-pyrrolidin-2-yl]-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one
CID 98043041
11-propan-2-yl-5-pyrrolidin-2-yl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one;hydrochloride
CID 71298589
2-cyclohexyl-5-pyrrolidin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82271147
tert-butyl (2S)-2-(3-amino-1H-pyrazol-5-yl)piperidine-1-carboxylate;tert-butyl (2S)-2-(6-ethyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carboxylate;5,6-dimethyl-2-[(2S)-piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one;methyl 2-ethyl-3-oxobutanoate
CID 161308317
5,6-dimethyl-2-[(3R)-piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98078017
tert-butyl (2S)-2-(3-amino-1H-pyrazol-5-yl)piperidine-1-carboxylate;tert-butyl (2S)-2-(6-ethyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carboxylate;6-ethyl-5-methyl-2-[(2S)-piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one;methane;methyl 2-ethyl-3-oxobutanoate
CID 158994855
6-ethyl-5-methyl-2-[1-(2-methylpropanoyl)piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110214668
(2R)-N-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperidine-2-carboxamide
CID 124697517
5-(1-aminoethyl)-2-cyclohexyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82271091
5-butan-2-yl-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 63317308
2-[(2R)-1-[(2R)-2-imidazol-1-ylpropanoyl]pyrrolidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98061886

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-6-methyl-2-piperidin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-butan-2-yl-6-methyl-2-piperidin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 123550741) is 5-butan-2-yl-6-methyl-2-piperidin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-butan-2-yl-6-methyl-2-piperidin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-butan-2-yl-6-methyl-2-piperidin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCC(C)c1nc2cc(C3CCCCN3)[nH]n2c(=O)c1C.
What is the InChIKey of 5-butan-2-yl-6-methyl-2-piperidin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is QFMKNSNWQZFHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-4-10(2)15-11(3)16(21)20-14(18-15)9-13(19-20)12-7-5-6-8-17-12/h9-10,12,17,19H,4-8H2,1-3H3.
What are the key properties of 5-butan-2-yl-6-methyl-2-piperidin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-butan-2-yl-6-methyl-2-piperidin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 288.39 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-6-methyl-2-piperidin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 123550741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).