3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(3-methylbutyl)propanamide

C16H24N4O2 — CID 51100422

IUPAC3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(3-methylbutyl)propanamide
SMILESCC1=C(C(=NC2=CC(=O)NN12)C)CCC(=O)NCCC(C)C
InChIInChI=1S/C16H24N4O2/c1-10(2)7-8-17-15(21)6-5-13-11(3)18-14-9-16(22)19-20(14)12(13)4/h9-10H,5-8H2,1-4H3,(H,17,21)(H,19,22)
InChIKeyCOUVEYIXQKKQNV-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.30
Rot. Bonds6

About 3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(3-methylbutyl)propanamide

3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(3-methylbutyl)propanamide (PubChem CID 51100422) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(3-methylbutyl)propanamide
PubChem CID51100422
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(3-methylbutyl)propanamide
SMILESCC1=C(C(=NC2=CC(=O)NN12)C)CCC(=O)NCCC(C)C
InChIInChI=1S/C16H24N4O2/c1-10(2)7-8-17-15(21)6-5-13-11(3)18-14-9-16(22)19-20(14)12(13)4/h9-10H,5-8H2,1-4H3,(H,17,21)(H,19,22)
InChIKeyCOUVEYIXQKKQNV-UHFFFAOYSA-N
XLogP1.30
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity573

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

CID 51100403
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CID 51100466
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CID 51106854
CID 51106854
CID 53544041
CID 53544041
CID 53569381
CID 53569381
CID 53570125
CID 53570125
CID 53575374
CID 53575374
CID 53545516
CID 53545516
CID 132291563
CID 132291563
CID 132293180
CID 132293180
CID 132295514
CID 132295514
CID 132297707
CID 132297707

Frequently Asked Questions

What is the IUPAC name of 3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(3-methylbutyl)propanamide?
The IUPAC name of 3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(3-methylbutyl)propanamide (CID 51100422) is 3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(3-methylbutyl)propanamide?
The canonical SMILES for 3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(3-methylbutyl)propanamide is CC1=C(C(=NC2=CC(=O)NN12)C)CCC(=O)NCCC(C)C.
What is the InChIKey of 3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(3-methylbutyl)propanamide?
The InChIKey is COUVEYIXQKKQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-10(2)7-8-17-15(21)6-5-13-11(3)18-14-9-16(22)19-20(14)12(13)4/h9-10H,5-8H2,1-4H3,(H,17,21)(H,19,22).
What are the key properties of 3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(3-methylbutyl)propanamide?
3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(3-methylbutyl)propanamide has a molecular weight of 304.39 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 51100422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).