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

C10H12N4O2 — CID 137161549

IUPACN-[(7-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]acetamide
SMILESCC(=O)NCc1c(C)n2nccc2[nH]c1=O
InChIInChI=1S/C10H12N4O2/c1-6-8(5-11-7(2)15)10(16)13-9-3-4-12-14(6)9/h3-4H,5H2,1-2H3,(H,11,15)(H,13,16)
InChIKeyPCYBAQWHZVEARS-UHFFFAOYSA-N
MW220.23 g/mol
LogP-0.03
Rot. Bonds2

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

N-[(7-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]acetamide (PubChem CID 137161549) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is N-[(7-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(7-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]acetamide
PubChem CID137161549
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC NameN-[(7-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]acetamide
SMILESCC(=O)NCc1c(C)n2nccc2[nH]c1=O
InChIInChI=1S/C10H12N4O2/c1-6-8(5-11-7(2)15)10(16)13-9-3-4-12-14(6)9/h3-4H,5H2,1-2H3,(H,11,15)(H,13,16)
InChIKeyPCYBAQWHZVEARS-UHFFFAOYSA-N
XLogP-0.03
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(7-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]acetamide?
The IUPAC name of N-[(7-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]acetamide (CID 137161549) is N-[(7-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]acetamide.
What is the SMILES notation for N-[(7-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]acetamide?
The canonical SMILES for N-[(7-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]acetamide is CC(=O)NCc1c(C)n2nccc2[nH]c1=O.
What is the InChIKey of N-[(7-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]acetamide?
The InChIKey is PCYBAQWHZVEARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-6-8(5-11-7(2)15)10(16)13-9-3-4-12-14(6)9/h3-4H,5H2,1-2H3,(H,11,15)(H,13,16).
What are the key properties of N-[(7-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]acetamide?
N-[(7-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]acetamide has a molecular weight of 220.23 g/mol, XLogP of -0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]acetamide is sourced from PubChem (CID 137161549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).