N,N-dimethyl-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide

C13H18N6O — CID 42933881

IUPACN,N-dimethyl-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1c1ncnc2c1cnn2C
InChIInChI=1S/C13H18N6O/c1-17(2)13(20)10-5-4-6-19(10)12-9-7-16-18(3)11(9)14-8-15-12/h7-8,10H,4-6H2,1-3H3
InChIKeyBFURWFYEYQODFL-UHFFFAOYSA-N
MW274.33 g/mol
LogP0.42
Rot. Bonds2

About N,N-dimethyl-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide

N,N-dimethyl-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide (PubChem CID 42933881) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is N,N-dimethyl-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide
PubChem CID42933881
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC NameN,N-dimethyl-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1c1ncnc2c1cnn2C
InChIInChI=1S/C13H18N6O/c1-17(2)13(20)10-5-4-6-19(10)12-9-7-16-18(3)11(9)14-8-15-12/h7-8,10H,4-6H2,1-3H3
InChIKeyBFURWFYEYQODFL-UHFFFAOYSA-N
XLogP0.42
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide?
The IUPAC name of N,N-dimethyl-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide (CID 42933881) is N,N-dimethyl-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide is CN(C)C(=O)C1CCCN1c1ncnc2c1cnn2C.
What is the InChIKey of N,N-dimethyl-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide?
The InChIKey is BFURWFYEYQODFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-17(2)13(20)10-5-4-6-19(10)12-9-7-16-18(3)11(9)14-8-15-12/h7-8,10H,4-6H2,1-3H3.
What are the key properties of N,N-dimethyl-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide?
N,N-dimethyl-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide has a molecular weight of 274.33 g/mol, XLogP of 0.42, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 42933881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).