6-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C16H23N5O2 — CID 71871981

IUPAC6-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2cc[nH]n2c(=O)c1CC(=O)N1CC(C)C(N(C)C)C1
InChIInChI=1S/C16H23N5O2/c1-10-8-20(9-13(10)19(3)4)15(22)7-12-11(2)18-14-5-6-17-21(14)16(12)23/h5-6,10,13,17H,7-9H2,1-4H3
InChIKeySNBUKNGWMDIARW-UHFFFAOYSA-N
MW317.39 g/mol
LogP0.28
Rot. Bonds3

About 6-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

6-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 71871981) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 6-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID71871981
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name6-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2cc[nH]n2c(=O)c1CC(=O)N1CC(C)C(N(C)C)C1
InChIInChI=1S/C16H23N5O2/c1-10-8-20(9-13(10)19(3)4)15(22)7-12-11(2)18-14-5-6-17-21(14)16(12)23/h5-6,10,13,17H,7-9H2,1-4H3
InChIKeySNBUKNGWMDIARW-UHFFFAOYSA-N
XLogP0.28
TPSA73.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 71871981) is 6-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1nc2cc[nH]n2c(=O)c1CC(=O)N1CC(C)C(N(C)C)C1.
What is the InChIKey of 6-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is SNBUKNGWMDIARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-10-8-20(9-13(10)19(3)4)15(22)7-12-11(2)18-14-5-6-17-21(14)16(12)23/h5-6,10,13,17H,7-9H2,1-4H3.
What are the key properties of 6-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
6-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 317.39 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 71871981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).