3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-ethylpropanamide

C13H18N4O2 — CID 51100466

IUPAC3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-ethylpropanamide
SMILESCCNC(=O)CCc1c(C)nc2cc(=O)[nH]n2c1C
InChIInChI=1S/C13H18N4O2/c1-4-14-12(18)6-5-10-8(2)15-11-7-13(19)16-17(11)9(10)3/h7H,4-6H2,1-3H3,(H,14,18)(H,16,19)
InChIKeyDSZLDTNICJPGMB-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.71
Rot. Bonds4

About 3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-ethylpropanamide

3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-ethylpropanamide (PubChem CID 51100466) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-ethylpropanamide.

Molecular Properties

Compound Name3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-ethylpropanamide
PubChem CID51100466
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-ethylpropanamide
SMILESCCNC(=O)CCc1c(C)nc2cc(=O)[nH]n2c1C
InChIInChI=1S/C13H18N4O2/c1-4-14-12(18)6-5-10-8(2)15-11-7-13(19)16-17(11)9(10)3/h7H,4-6H2,1-3H3,(H,14,18)(H,16,19)
InChIKeyDSZLDTNICJPGMB-UHFFFAOYSA-N
XLogP0.71
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-ethylpropanamide?
The IUPAC name of 3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-ethylpropanamide (CID 51100466) is 3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-ethylpropanamide.
What is the SMILES notation for 3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-ethylpropanamide?
The canonical SMILES for 3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-ethylpropanamide is CCNC(=O)CCc1c(C)nc2cc(=O)[nH]n2c1C.
What is the InChIKey of 3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-ethylpropanamide?
The InChIKey is DSZLDTNICJPGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-4-14-12(18)6-5-10-8(2)15-11-7-13(19)16-17(11)9(10)3/h7H,4-6H2,1-3H3,(H,14,18)(H,16,19).
What are the key properties of 3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-ethylpropanamide?
3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-ethylpropanamide has a molecular weight of 262.31 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-ethylpropanamide is sourced from PubChem (CID 51100466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).