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

C13H18N4O2 — CID 53575374

IUPAC2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-propan-2-ylacetamide
SMILESCC1=C(C(=NC2=CC(=O)NN12)C)CC(=O)NC(C)C
InChIInChI=1S/C13H18N4O2/c1-7(2)14-12(18)5-10-8(3)15-11-6-13(19)16-17(11)9(10)4/h6-7H,5H2,1-4H3,(H,14,18)(H,16,19)
InChIKeyKREPKLNZLRGLKG-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.10
Rot. Bonds3

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

2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-propan-2-ylacetamide (PubChem CID 53575374) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-propan-2-ylacetamide
PubChem CID53575374
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-propan-2-ylacetamide
SMILESCC1=C(C(=NC2=CC(=O)NN12)C)CC(=O)NC(C)C
InChIInChI=1S/C13H18N4O2/c1-7(2)14-12(18)5-10-8(3)15-11-6-13(19)16-17(11)9(10)4/h6-7H,5H2,1-4H3,(H,14,18)(H,16,19)
InChIKeyKREPKLNZLRGLKG-UHFFFAOYSA-N
XLogP0.10
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity529

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

CID 51100403
CID 51100403
CID 51100466
CID 51100466
CID 51106854
CID 51106854
CID 53544041
CID 53544041
CID 53568961
CID 53568961
CID 53569381
CID 53569381
CID 53570125
CID 53570125
CID 177681441
CID 177681441
CID 53545516
CID 53545516
CID 132291563
CID 132291563
CID 132291633
CID 132291633
CID 132293083
CID 132293083

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-propan-2-ylacetamide (CID 53575374) is 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-propan-2-ylacetamide is CC1=C(C(=NC2=CC(=O)NN12)C)CC(=O)NC(C)C.
What is the InChIKey of 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-propan-2-ylacetamide?
The InChIKey is KREPKLNZLRGLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-7(2)14-12(18)5-10-8(3)15-11-6-13(19)16-17(11)9(10)4/h6-7H,5H2,1-4H3,(H,14,18)(H,16,19).
What are the key properties of 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-propan-2-ylacetamide?
2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-propan-2-ylacetamide has a molecular weight of 262.31 g/mol, XLogP of 0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 53575374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).