N-methyl-7-(1-methylpyrrolidin-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C13H17N5O — CID 110268108

IUPACN-methyl-7-(1-methylpyrrolidin-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNC(=O)c1cnn2c(C3CCCN3C)ccnc12
InChIInChI=1S/C13H17N5O/c1-14-13(19)9-8-16-18-11(5-6-15-12(9)18)10-4-3-7-17(10)2/h5-6,8,10H,3-4,7H2,1-2H3,(H,14,19)
InChIKeyIBLLNLKAXUJYDA-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.86
Rot. Bonds2

About N-methyl-7-(1-methylpyrrolidin-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-methyl-7-(1-methylpyrrolidin-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 110268108) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is N-methyl-7-(1-methylpyrrolidin-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-7-(1-methylpyrrolidin-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID110268108
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC NameN-methyl-7-(1-methylpyrrolidin-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNC(=O)c1cnn2c(C3CCCN3C)ccnc12
InChIInChI=1S/C13H17N5O/c1-14-13(19)9-8-16-18-11(5-6-15-12(9)18)10-4-3-7-17(10)2/h5-6,8,10H,3-4,7H2,1-2H3,(H,14,19)
InChIKeyIBLLNLKAXUJYDA-UHFFFAOYSA-N
XLogP0.86
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-7-(1-methylpyrrolidin-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-methyl-7-(1-methylpyrrolidin-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 110268108) is N-methyl-7-(1-methylpyrrolidin-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-methyl-7-(1-methylpyrrolidin-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-methyl-7-(1-methylpyrrolidin-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNC(=O)c1cnn2c(C3CCCN3C)ccnc12.
What is the InChIKey of N-methyl-7-(1-methylpyrrolidin-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is IBLLNLKAXUJYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-14-13(19)9-8-16-18-11(5-6-15-12(9)18)10-4-3-7-17(10)2/h5-6,8,10H,3-4,7H2,1-2H3,(H,14,19).
What are the key properties of N-methyl-7-(1-methylpyrrolidin-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-methyl-7-(1-methylpyrrolidin-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-7-(1-methylpyrrolidin-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 110268108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).