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

C18H21N5O — CID 46961215

IUPAC2,2-dimethyl-N-[2-(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)ethyl]propanamide
SMILESCC(C)(C)C(=O)NCCc1cc2nc(-c3ccncc3)ccn2n1
InChIInChI=1S/C18H21N5O/c1-18(2,3)17(24)20-10-6-14-12-16-21-15(7-11-23(16)22-14)13-4-8-19-9-5-13/h4-5,7-9,11-12H,6,10H2,1-3H3,(H,20,24)
InChIKeyTUXZNHPMKFWNMP-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.50
Rot. Bonds4

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

2,2-dimethyl-N-[2-(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)ethyl]propanamide (PubChem CID 46961215) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)ethyl]propanamide
PubChem CID46961215
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name2,2-dimethyl-N-[2-(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)ethyl]propanamide
SMILESCC(C)(C)C(=O)NCCc1cc2nc(-c3ccncc3)ccn2n1
InChIInChI=1S/C18H21N5O/c1-18(2,3)17(24)20-10-6-14-12-16-21-15(7-11-23(16)22-14)13-4-8-19-9-5-13/h4-5,7-9,11-12H,6,10H2,1-3H3,(H,20,24)
InChIKeyTUXZNHPMKFWNMP-UHFFFAOYSA-N
XLogP2.50
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)ethyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)ethyl]propanamide (CID 46961215) is 2,2-dimethyl-N-[2-(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)ethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)ethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)ethyl]propanamide is CC(C)(C)C(=O)NCCc1cc2nc(-c3ccncc3)ccn2n1.
What is the InChIKey of 2,2-dimethyl-N-[2-(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)ethyl]propanamide?
The InChIKey is TUXZNHPMKFWNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-18(2,3)17(24)20-10-6-14-12-16-21-15(7-11-23(16)22-14)13-4-8-19-9-5-13/h4-5,7-9,11-12H,6,10H2,1-3H3,(H,20,24).
What are the key properties of 2,2-dimethyl-N-[2-(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)ethyl]propanamide?
2,2-dimethyl-N-[2-(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)ethyl]propanamide has a molecular weight of 323.40 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)ethyl]propanamide is sourced from PubChem (CID 46961215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).