2-[5,7-diethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-N-phenylacetamide

C26H28N4O2 — CID 127052370

IUPAC2-[5,7-diethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-N-phenylacetamide
SMILESCCc1cc(CC)n2nc(-c3ccc(OC)cc3)c(CC(=O)N(C)c3ccccc3)c2n1
InChIInChI=1S/C26H28N4O2/c1-5-19-16-20(6-2)30-26(27-19)23(17-24(31)29(3)21-10-8-7-9-11-21)25(28-30)18-12-14-22(32-4)15-13-18/h7-16H,5-6,17H2,1-4H3
InChIKeyAZMUKLMRLLUNFN-UHFFFAOYSA-N
MW428.54 g/mol
LogP4.74
Rot. Bonds7

About 2-[5,7-diethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-N-phenylacetamide

2-[5,7-diethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-N-phenylacetamide (PubChem CID 127052370) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 2-[5,7-diethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[5,7-diethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-N-phenylacetamide
PubChem CID127052370
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC Name2-[5,7-diethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-N-phenylacetamide
SMILESCCc1cc(CC)n2nc(-c3ccc(OC)cc3)c(CC(=O)N(C)c3ccccc3)c2n1
InChIInChI=1S/C26H28N4O2/c1-5-19-16-20(6-2)30-26(27-19)23(17-24(31)29(3)21-10-8-7-9-11-21)25(28-30)18-12-14-22(32-4)15-13-18/h7-16H,5-6,17H2,1-4H3
InChIKeyAZMUKLMRLLUNFN-UHFFFAOYSA-N
XLogP4.74
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5,7-diethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-N-phenylacetamide?
The IUPAC name of 2-[5,7-diethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-N-phenylacetamide (CID 127052370) is 2-[5,7-diethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-[5,7-diethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-[5,7-diethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-N-phenylacetamide is CCc1cc(CC)n2nc(-c3ccc(OC)cc3)c(CC(=O)N(C)c3ccccc3)c2n1.
What is the InChIKey of 2-[5,7-diethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-N-phenylacetamide?
The InChIKey is AZMUKLMRLLUNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-5-19-16-20(6-2)30-26(27-19)23(17-24(31)29(3)21-10-8-7-9-11-21)25(28-30)18-12-14-22(32-4)15-13-18/h7-16H,5-6,17H2,1-4H3.
What are the key properties of 2-[5,7-diethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-N-phenylacetamide?
2-[5,7-diethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-N-phenylacetamide has a molecular weight of 428.54 g/mol, XLogP of 4.74, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,7-diethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-N-phenylacetamide is sourced from PubChem (CID 127052370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).