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

C12H16N4O2 — CID 129034354

IUPACN-[(2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]propanamide
SMILESCCC(=O)NCc1c(C)nc2cc(C)[nH]n2c1=O
InChIInChI=1S/C12H16N4O2/c1-4-11(17)13-6-9-8(3)14-10-5-7(2)15-16(10)12(9)18/h5,15H,4,6H2,1-3H3,(H,13,17)
InChIKeyAYPWHAIAPDXWPE-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.67
Rot. Bonds3

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

N-[(2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]propanamide (PubChem CID 129034354) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is N-[(2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]propanamide.

Molecular Properties

Compound NameN-[(2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]propanamide
PubChem CID129034354
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC NameN-[(2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]propanamide
SMILESCCC(=O)NCc1c(C)nc2cc(C)[nH]n2c1=O
InChIInChI=1S/C12H16N4O2/c1-4-11(17)13-6-9-8(3)14-10-5-7(2)15-16(10)12(9)18/h5,15H,4,6H2,1-3H3,(H,13,17)
InChIKeyAYPWHAIAPDXWPE-UHFFFAOYSA-N
XLogP0.67
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 ≤ 50.67
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]propanamide?
The IUPAC name of N-[(2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]propanamide (CID 129034354) is N-[(2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]propanamide.
What is the SMILES notation for N-[(2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]propanamide?
The canonical SMILES for N-[(2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]propanamide is CCC(=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]propanamide?
The InChIKey is AYPWHAIAPDXWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-4-11(17)13-6-9-8(3)14-10-5-7(2)15-16(10)12(9)18/h5,15H,4,6H2,1-3H3,(H,13,17).
What are the key properties of N-[(2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]propanamide?
N-[(2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]propanamide has a molecular weight of 248.29 g/mol, XLogP of 0.67, 3 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]propanamide is sourced from PubChem (CID 129034354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).