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

C12H16N4O2 — CID 129034348

IUPAC2-methyl-N-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]propanamide
SMILESCc1nc2cc[nH]n2c(=O)c1CNC(=O)C(C)C
InChIInChI=1S/C12H16N4O2/c1-7(2)11(17)13-6-9-8(3)15-10-4-5-14-16(10)12(9)18/h4-5,7,14H,6H2,1-3H3,(H,13,17)
InChIKeyWLUPLHZPXOAOAK-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.60
Rot. Bonds3

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

2-methyl-N-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]propanamide (PubChem CID 129034348) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 2-methyl-N-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]propanamide
PubChem CID129034348
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name2-methyl-N-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]propanamide
SMILESCc1nc2cc[nH]n2c(=O)c1CNC(=O)C(C)C
InChIInChI=1S/C12H16N4O2/c1-7(2)11(17)13-6-9-8(3)15-10-4-5-14-16(10)12(9)18/h4-5,7,14H,6H2,1-3H3,(H,13,17)
InChIKeyWLUPLHZPXOAOAK-UHFFFAOYSA-N
XLogP0.60
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]propanamide?
The IUPAC name of 2-methyl-N-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]propanamide (CID 129034348) is 2-methyl-N-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]propanamide.
What is the SMILES notation for 2-methyl-N-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]propanamide?
The canonical SMILES for 2-methyl-N-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]propanamide is Cc1nc2cc[nH]n2c(=O)c1CNC(=O)C(C)C.
What is the InChIKey of 2-methyl-N-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]propanamide?
The InChIKey is WLUPLHZPXOAOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-7(2)11(17)13-6-9-8(3)15-10-4-5-14-16(10)12(9)18/h4-5,7,14H,6H2,1-3H3,(H,13,17).
What are the key properties of 2-methyl-N-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]propanamide?
2-methyl-N-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]propanamide has a molecular weight of 248.29 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]propanamide is sourced from PubChem (CID 129034348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).