1,3-dimethyl-6-propyl-5-pyrrolidin-1-ylpyrazolo[4,5-d]pyrimidin-7-one

C14H21N5O — CID 39895064

IUPAC1,3-dimethyl-6-propyl-5-pyrrolidin-1-ylpyrazolo[4,5-d]pyrimidin-7-one
SMILESCCCn1c(N2CCCC2)nc2c(C)nn(C)c2c1=O
InChIInChI=1S/C14H21N5O/c1-4-7-19-13(20)12-11(10(2)16-17(12)3)15-14(19)18-8-5-6-9-18/h4-9H2,1-3H3
InChIKeyWOABRGYVTMCJHD-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.45
Rot. Bonds3

About 1,3-dimethyl-6-propyl-5-pyrrolidin-1-ylpyrazolo[4,5-d]pyrimidin-7-one

1,3-dimethyl-6-propyl-5-pyrrolidin-1-ylpyrazolo[4,5-d]pyrimidin-7-one (PubChem CID 39895064) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 1,3-dimethyl-6-propyl-5-pyrrolidin-1-ylpyrazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name1,3-dimethyl-6-propyl-5-pyrrolidin-1-ylpyrazolo[4,5-d]pyrimidin-7-one
PubChem CID39895064
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name1,3-dimethyl-6-propyl-5-pyrrolidin-1-ylpyrazolo[4,5-d]pyrimidin-7-one
SMILESCCCn1c(N2CCCC2)nc2c(C)nn(C)c2c1=O
InChIInChI=1S/C14H21N5O/c1-4-7-19-13(20)12-11(10(2)16-17(12)3)15-14(19)18-8-5-6-9-18/h4-9H2,1-3H3
InChIKeyWOABRGYVTMCJHD-UHFFFAOYSA-N
XLogP1.45
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-propyl-5-pyrrolidin-1-ylpyrazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 1,3-dimethyl-6-propyl-5-pyrrolidin-1-ylpyrazolo[4,5-d]pyrimidin-7-one (CID 39895064) is 1,3-dimethyl-6-propyl-5-pyrrolidin-1-ylpyrazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 1,3-dimethyl-6-propyl-5-pyrrolidin-1-ylpyrazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 1,3-dimethyl-6-propyl-5-pyrrolidin-1-ylpyrazolo[4,5-d]pyrimidin-7-one is CCCn1c(N2CCCC2)nc2c(C)nn(C)c2c1=O.
What is the InChIKey of 1,3-dimethyl-6-propyl-5-pyrrolidin-1-ylpyrazolo[4,5-d]pyrimidin-7-one?
The InChIKey is WOABRGYVTMCJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-4-7-19-13(20)12-11(10(2)16-17(12)3)15-14(19)18-8-5-6-9-18/h4-9H2,1-3H3.
What are the key properties of 1,3-dimethyl-6-propyl-5-pyrrolidin-1-ylpyrazolo[4,5-d]pyrimidin-7-one?
1,3-dimethyl-6-propyl-5-pyrrolidin-1-ylpyrazolo[4,5-d]pyrimidin-7-one has a molecular weight of 275.36 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-propyl-5-pyrrolidin-1-ylpyrazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 39895064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).