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

C11H14N4O2 — CID 121371102

IUPACN-[(2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]acetamide
SMILESCC(=O)NCc1c(C)nc2cc(C)[nH]n2c1=O
InChIInChI=1S/C11H14N4O2/c1-6-4-10-13-7(2)9(5-12-8(3)16)11(17)15(10)14-6/h4,14H,5H2,1-3H3,(H,12,16)
InChIKeyBPKWTYFILHWRJU-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.28
Rot. Bonds2

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

N-[(2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]acetamide (PubChem CID 121371102) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is N-[(2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]acetamide
PubChem CID121371102
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC NameN-[(2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]acetamide
SMILESCC(=O)NCc1c(C)nc2cc(C)[nH]n2c1=O
InChIInChI=1S/C11H14N4O2/c1-6-4-10-13-7(2)9(5-12-8(3)16)11(17)15(10)14-6/h4,14H,5H2,1-3H3,(H,12,16)
InChIKeyBPKWTYFILHWRJU-UHFFFAOYSA-N
XLogP0.28
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]acetamide?
The IUPAC name of N-[(2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]acetamide (CID 121371102) is N-[(2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]acetamide.
What is the SMILES notation for N-[(2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]acetamide?
The canonical SMILES for N-[(2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]acetamide is CC(=O)NCc1c(C)nc2cc(C)[nH]n2c1=O.
What is the InChIKey of N-[(2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]acetamide?
The InChIKey is BPKWTYFILHWRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-6-4-10-13-7(2)9(5-12-8(3)16)11(17)15(10)14-6/h4,14H,5H2,1-3H3,(H,12,16).
What are the key properties of N-[(2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]acetamide?
N-[(2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]acetamide has a molecular weight of 234.26 g/mol, XLogP of 0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]acetamide is sourced from PubChem (CID 121371102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).