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

C10H12N4O2 — CID 121371083

IUPACN-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]acetamide
SMILESCC(=O)NCc1c(C)nc2cc[nH]n2c1=O
InChIInChI=1S/C10H12N4O2/c1-6-8(5-11-7(2)15)10(16)14-9(13-6)3-4-12-14/h3-4,12H,5H2,1-2H3,(H,11,15)
InChIKeyHUYKOHZFGPVGPS-UHFFFAOYSA-N
MW220.23 g/mol
LogP-0.03
Rot. Bonds2

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

N-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]acetamide (PubChem CID 121371083) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is N-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]acetamide
PubChem CID121371083
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC NameN-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]acetamide
SMILESCC(=O)NCc1c(C)nc2cc[nH]n2c1=O
InChIInChI=1S/C10H12N4O2/c1-6-8(5-11-7(2)15)10(16)14-9(13-6)3-4-12-14/h3-4,12H,5H2,1-2H3,(H,11,15)
InChIKeyHUYKOHZFGPVGPS-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-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]acetamide?
The IUPAC name of N-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]acetamide (CID 121371083) is N-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]acetamide.
What is the SMILES notation for N-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]acetamide?
The canonical SMILES for N-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]acetamide is CC(=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]acetamide?
The InChIKey is HUYKOHZFGPVGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-6-8(5-11-7(2)15)10(16)14-9(13-6)3-4-12-14/h3-4,12H,5H2,1-2H3,(H,11,15).
What are the key properties of N-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]acetamide?
N-[(5-methyl-7-oxo-1H-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-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]acetamide is sourced from PubChem (CID 121371083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).