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

C16H22F2N4O2 — CID 51106854

IUPACN-(2,2-difluoroethyl)-3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-propylpropanamide
SMILESCCCN(CC(F)F)C(=O)CCc1c(C)nc2cc(=O)[nH]n2c1C
InChIInChI=1S/C16H22F2N4O2/c1-4-7-21(9-13(17)18)16(24)6-5-12-10(2)19-14-8-15(23)20-22(14)11(12)3/h8,13H,4-7,9H2,1-3H3,(H,20,23)
InChIKeyQQVPVBNTUQJEJI-UHFFFAOYSA-N
MW340.37 g/mol
LogP2.08
Rot. Bonds7

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

N-(2,2-difluoroethyl)-3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-propylpropanamide (PubChem CID 51106854) has the molecular formula C16H22F2N4O2 and a molecular weight of 340.37 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-propylpropanamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-propylpropanamide
PubChem CID51106854
Molecular FormulaC16H22F2N4O2
Molecular Weight340.37 g/mol
Exact Mass340.17
IUPAC NameN-(2,2-difluoroethyl)-3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-propylpropanamide
SMILESCCCN(CC(F)F)C(=O)CCc1c(C)nc2cc(=O)[nH]n2c1C
InChIInChI=1S/C16H22F2N4O2/c1-4-7-21(9-13(17)18)16(24)6-5-12-10(2)19-14-8-15(23)20-22(14)11(12)3/h8,13H,4-7,9H2,1-3H3,(H,20,23)
InChIKeyQQVPVBNTUQJEJI-UHFFFAOYSA-N
XLogP2.08
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-propylpropanamide?
The IUPAC name of N-(2,2-difluoroethyl)-3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-propylpropanamide (CID 51106854) is N-(2,2-difluoroethyl)-3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-propylpropanamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-propylpropanamide?
The canonical SMILES for N-(2,2-difluoroethyl)-3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-propylpropanamide is CCCN(CC(F)F)C(=O)CCc1c(C)nc2cc(=O)[nH]n2c1C.
What is the InChIKey of N-(2,2-difluoroethyl)-3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-propylpropanamide?
The InChIKey is QQVPVBNTUQJEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N4O2/c1-4-7-21(9-13(17)18)16(24)6-5-12-10(2)19-14-8-15(23)20-22(14)11(12)3/h8,13H,4-7,9H2,1-3H3,(H,20,23).
What are the key properties of N-(2,2-difluoroethyl)-3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-propylpropanamide?
N-(2,2-difluoroethyl)-3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-propylpropanamide has a molecular weight of 340.37 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-propylpropanamide is sourced from PubChem (CID 51106854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).