2-[2-(4-ethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide

C22H28N4O2 — CID 46945444

IUPAC2-[2-(4-ethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide
SMILESCCOc1ccc(-c2nn3c(C)cc(C)nc3c2CC(=O)N(CC)CC)cc1
InChIInChI=1S/C22H28N4O2/c1-6-25(7-2)20(27)14-19-21(17-9-11-18(12-10-17)28-8-3)24-26-16(5)13-15(4)23-22(19)26/h9-13H,6-8,14H2,1-5H3
InChIKeyIUEKKZWRWOFGRT-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.82
Rot. Bonds7

About 2-[2-(4-ethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide

2-[2-(4-ethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide (PubChem CID 46945444) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-[2-(4-ethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[2-(4-ethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide
PubChem CID46945444
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name2-[2-(4-ethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide
SMILESCCOc1ccc(-c2nn3c(C)cc(C)nc3c2CC(=O)N(CC)CC)cc1
InChIInChI=1S/C22H28N4O2/c1-6-25(7-2)20(27)14-19-21(17-9-11-18(12-10-17)28-8-3)24-26-16(5)13-15(4)23-22(19)26/h9-13H,6-8,14H2,1-5H3
InChIKeyIUEKKZWRWOFGRT-UHFFFAOYSA-N
XLogP3.82
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide?
The IUPAC name of 2-[2-(4-ethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide (CID 46945444) is 2-[2-(4-ethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[2-(4-ethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide?
The canonical SMILES for 2-[2-(4-ethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide is CCOc1ccc(-c2nn3c(C)cc(C)nc3c2CC(=O)N(CC)CC)cc1.
What is the InChIKey of 2-[2-(4-ethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide?
The InChIKey is IUEKKZWRWOFGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-6-25(7-2)20(27)14-19-21(17-9-11-18(12-10-17)28-8-3)24-26-16(5)13-15(4)23-22(19)26/h9-13H,6-8,14H2,1-5H3.
What are the key properties of 2-[2-(4-ethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide?
2-[2-(4-ethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide has a molecular weight of 380.49 g/mol, XLogP of 3.82, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide is sourced from PubChem (CID 46945444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).