2-methyl-N-[2-(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)ethyl]propanamide

C17H19N5O — CID 95801601

IUPAC2-methyl-N-[2-(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)ethyl]propanamide
SMILESCC(C)C(=O)NCCc1cc2nc(-c3ccncc3)ccn2n1
InChIInChI=1S/C17H19N5O/c1-12(2)17(23)19-9-5-14-11-16-20-15(6-10-22(16)21-14)13-3-7-18-8-4-13/h3-4,6-8,10-12H,5,9H2,1-2H3,(H,19,23)
InChIKeyCHEKVCLYHGYAPJ-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.11
Rot. Bonds5

About 2-methyl-N-[2-(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)ethyl]propanamide

2-methyl-N-[2-(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)ethyl]propanamide (PubChem CID 95801601) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-methyl-N-[2-(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)ethyl]propanamide
PubChem CID95801601
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name2-methyl-N-[2-(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)ethyl]propanamide
SMILESCC(C)C(=O)NCCc1cc2nc(-c3ccncc3)ccn2n1
InChIInChI=1S/C17H19N5O/c1-12(2)17(23)19-9-5-14-11-16-20-15(6-10-22(16)21-14)13-3-7-18-8-4-13/h3-4,6-8,10-12H,5,9H2,1-2H3,(H,19,23)
InChIKeyCHEKVCLYHGYAPJ-UHFFFAOYSA-N
XLogP2.11
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)ethyl]propanamide?
The IUPAC name of 2-methyl-N-[2-(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)ethyl]propanamide (CID 95801601) is 2-methyl-N-[2-(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)ethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)ethyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)ethyl]propanamide is CC(C)C(=O)NCCc1cc2nc(-c3ccncc3)ccn2n1.
What is the InChIKey of 2-methyl-N-[2-(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)ethyl]propanamide?
The InChIKey is CHEKVCLYHGYAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-12(2)17(23)19-9-5-14-11-16-20-15(6-10-22(16)21-14)13-3-7-18-8-4-13/h3-4,6-8,10-12H,5,9H2,1-2H3,(H,19,23).
What are the key properties of 2-methyl-N-[2-(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)ethyl]propanamide?
2-methyl-N-[2-(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)ethyl]propanamide has a molecular weight of 309.37 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)ethyl]propanamide is sourced from PubChem (CID 95801601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).