2-methyl-N-[(7-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]propanamide

C12H16N4O2 — CID 137221594

IUPAC2-methyl-N-[(7-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]propanamide
SMILESCc1c(CNC(=O)C(C)C)c(=O)[nH]c2ccnn12
InChIInChI=1S/C12H16N4O2/c1-7(2)11(17)13-6-9-8(3)16-10(4-5-14-16)15-12(9)18/h4-5,7H,6H2,1-3H3,(H,13,17)(H,15,18)
InChIKeyYDWDGTLNNQIGEV-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.60
Rot. Bonds3

About 2-methyl-N-[(7-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]propanamide

2-methyl-N-[(7-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]propanamide (PubChem CID 137221594) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 2-methyl-N-[(7-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[(7-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]propanamide
PubChem CID137221594
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name2-methyl-N-[(7-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]propanamide
SMILESCc1c(CNC(=O)C(C)C)c(=O)[nH]c2ccnn12
InChIInChI=1S/C12H16N4O2/c1-7(2)11(17)13-6-9-8(3)16-10(4-5-14-16)15-12(9)18/h4-5,7H,6H2,1-3H3,(H,13,17)(H,15,18)
InChIKeyYDWDGTLNNQIGEV-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-[(7-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]propanamide?
The IUPAC name of 2-methyl-N-[(7-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]propanamide (CID 137221594) is 2-methyl-N-[(7-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]propanamide.
What is the SMILES notation for 2-methyl-N-[(7-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]propanamide?
The canonical SMILES for 2-methyl-N-[(7-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]propanamide is Cc1c(CNC(=O)C(C)C)c(=O)[nH]c2ccnn12.
What is the InChIKey of 2-methyl-N-[(7-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]propanamide?
The InChIKey is YDWDGTLNNQIGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-7(2)11(17)13-6-9-8(3)16-10(4-5-14-16)15-12(9)18/h4-5,7H,6H2,1-3H3,(H,13,17)(H,15,18).
What are the key properties of 2-methyl-N-[(7-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]propanamide?
2-methyl-N-[(7-methyl-5-oxo-4H-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-[(7-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]propanamide is sourced from PubChem (CID 137221594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).