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

C11H14N4O2 — CID 134314264

IUPACN-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]propanamide
SMILESCCC(=O)NCc1c(C)nc2cc[nH]n2c1=O
InChIInChI=1S/C11H14N4O2/c1-3-10(16)12-6-8-7(2)14-9-4-5-13-15(9)11(8)17/h4-5,13H,3,6H2,1-2H3,(H,12,16)
InChIKeyQUHOOALJQULZFN-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.36
Rot. Bonds3

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

N-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]propanamide (PubChem CID 134314264) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is N-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]propanamide.

Molecular Properties

Compound NameN-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]propanamide
PubChem CID134314264
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC NameN-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]propanamide
SMILESCCC(=O)NCc1c(C)nc2cc[nH]n2c1=O
InChIInChI=1S/C11H14N4O2/c1-3-10(16)12-6-8-7(2)14-9-4-5-13-15(9)11(8)17/h4-5,13H,3,6H2,1-2H3,(H,12,16)
InChIKeyQUHOOALJQULZFN-UHFFFAOYSA-N
XLogP0.36
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]propanamide?
The IUPAC name of N-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]propanamide (CID 134314264) is N-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]propanamide.
What is the SMILES notation for N-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]propanamide?
The canonical SMILES for N-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]propanamide is CCC(=O)NCc1c(C)nc2cc[nH]n2c1=O.
What is the InChIKey of N-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]propanamide?
The InChIKey is QUHOOALJQULZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-3-10(16)12-6-8-7(2)14-9-4-5-13-15(9)11(8)17/h4-5,13H,3,6H2,1-2H3,(H,12,16).
What are the key properties of N-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]propanamide?
N-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]propanamide has a molecular weight of 234.26 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]propanamide is sourced from PubChem (CID 134314264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).