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

C17H26N4O2 — CID 53569381

IUPAC3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-methyl-N-(3-methylbutyl)propanamide
SMILESCC1=C(C(=NC2=CC(=O)NN12)C)CCC(=O)N(C)CCC(C)C
InChIInChI=1S/C17H26N4O2/c1-11(2)8-9-20(5)17(23)7-6-14-12(3)18-15-10-16(22)19-21(15)13(14)4/h10-11H,6-9H2,1-5H3,(H,19,22)
InChIKeyXYACNQKRIUEUSE-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.50
Rot. Bonds6

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

3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-methyl-N-(3-methylbutyl)propanamide (PubChem CID 53569381) has the molecular formula C17H26N4O2 and a molecular weight of 318.40 g/mol. Its IUPAC name is 3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-methyl-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-methyl-N-(3-methylbutyl)propanamide
PubChem CID53569381
Molecular FormulaC17H26N4O2
Molecular Weight318.40 g/mol
Exact Mass318.21
IUPAC Name3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-methyl-N-(3-methylbutyl)propanamide
SMILESCC1=C(C(=NC2=CC(=O)NN12)C)CCC(=O)N(C)CCC(C)C
InChIInChI=1S/C17H26N4O2/c1-11(2)8-9-20(5)17(23)7-6-14-12(3)18-15-10-16(22)19-21(15)13(14)4/h10-11H,6-9H2,1-5H3,(H,19,22)
InChIKeyXYACNQKRIUEUSE-UHFFFAOYSA-N
XLogP1.50
TPSA65.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity602

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N,N-diethylpropanamide
CID 51100403
3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-ethylpropanamide
CID 51100466
N-(2,2-difluoroethyl)-3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-propylpropanamide
CID 51106854
3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(4-methylpentyl)propanamide
CID 53544041
3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[3-(methylamino)-3-oxopropyl]propanamide
CID 53570125
2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-propan-2-ylacetamide
CID 53575374
2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide
CID 53545516
3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[[1-(trifluoromethyl)cyclopropyl]methyl]propanamide
CID 132291563
6-[2-[(2R)-2-(difluoromethyl)pyrrolidin-1-yl]-2-oxoethyl]-5,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-2-one
CID 132291633
6-[2-[2-(fluoromethyl)pyrrolidin-1-yl]-2-oxoethyl]-5,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-2-one
CID 132293083
2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[3-(trifluoromethyl)cyclobutyl]acetamide
CID 132293180
5,7-dimethyl-6-[3-oxo-3-[4-(trifluoromethyl)piperidin-1-yl]propyl]-1H-pyrazolo[1,5-a]pyrimidin-2-one
CID 132295514

Frequently Asked Questions

What is the IUPAC name of 3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-methyl-N-(3-methylbutyl)propanamide?
The IUPAC name of 3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-methyl-N-(3-methylbutyl)propanamide (CID 53569381) is 3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-methyl-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-methyl-N-(3-methylbutyl)propanamide?
The canonical SMILES for 3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-methyl-N-(3-methylbutyl)propanamide is CC1=C(C(=NC2=CC(=O)NN12)C)CCC(=O)N(C)CCC(C)C.
What is the InChIKey of 3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-methyl-N-(3-methylbutyl)propanamide?
The InChIKey is XYACNQKRIUEUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-11(2)8-9-20(5)17(23)7-6-14-12(3)18-15-10-16(22)19-21(15)13(14)4/h10-11H,6-9H2,1-5H3,(H,19,22).
What are the key properties of 3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-methyl-N-(3-methylbutyl)propanamide?
3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-methyl-N-(3-methylbutyl)propanamide has a molecular weight of 318.40 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 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-methyl-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 53569381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).