N-(azetidin-3-yl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C13H17N5O — CID 122147962

IUPACN-(azetidin-3-yl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C)n2nc(C)c(C(=O)NC3CNC3)c2n1
InChIInChI=1S/C13H17N5O/c1-7-4-8(2)18-12(15-7)11(9(3)17-18)13(19)16-10-5-14-6-10/h4,10,14H,5-6H2,1-3H3,(H,16,19)
InChIKeyDMBIYCZMIAUYLX-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.36
Rot. Bonds2

About N-(azetidin-3-yl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(azetidin-3-yl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 122147962) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is N-(azetidin-3-yl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID122147962
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC NameN-(azetidin-3-yl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C)n2nc(C)c(C(=O)NC3CNC3)c2n1
InChIInChI=1S/C13H17N5O/c1-7-4-8(2)18-12(15-7)11(9(3)17-18)13(19)16-10-5-14-6-10/h4,10,14H,5-6H2,1-3H3,(H,16,19)
InChIKeyDMBIYCZMIAUYLX-UHFFFAOYSA-N
XLogP0.36
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(azetidin-3-yl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 122147962) is N-(azetidin-3-yl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(azetidin-3-yl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(azetidin-3-yl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(C)n2nc(C)c(C(=O)NC3CNC3)c2n1.
What is the InChIKey of N-(azetidin-3-yl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is DMBIYCZMIAUYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-7-4-8(2)18-12(15-7)11(9(3)17-18)13(19)16-10-5-14-6-10/h4,10,14H,5-6H2,1-3H3,(H,16,19).
What are the key properties of N-(azetidin-3-yl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(azetidin-3-yl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 122147962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).