2-[5,7-diethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-1-pyrrolidin-1-ylethanone

C23H28N4O2 — CID 127048802

IUPAC2-[5,7-diethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-1-pyrrolidin-1-ylethanone
SMILESCCc1cc(CC)n2nc(-c3ccc(OC)cc3)c(CC(=O)N3CCCC3)c2n1
InChIInChI=1S/C23H28N4O2/c1-4-17-14-18(5-2)27-23(24-17)20(15-21(28)26-12-6-7-13-26)22(25-27)16-8-10-19(29-3)11-9-16/h8-11,14H,4-7,12-13,15H2,1-3H3
InChIKeyADEKSUYPDWVKGD-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.69
Rot. Bonds6

About 2-[5,7-diethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-1-pyrrolidin-1-ylethanone

2-[5,7-diethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 127048802) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 2-[5,7-diethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[5,7-diethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-1-pyrrolidin-1-ylethanone
PubChem CID127048802
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name2-[5,7-diethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-1-pyrrolidin-1-ylethanone
SMILESCCc1cc(CC)n2nc(-c3ccc(OC)cc3)c(CC(=O)N3CCCC3)c2n1
InChIInChI=1S/C23H28N4O2/c1-4-17-14-18(5-2)27-23(24-17)20(15-21(28)26-12-6-7-13-26)22(25-27)16-8-10-19(29-3)11-9-16/h8-11,14H,4-7,12-13,15H2,1-3H3
InChIKeyADEKSUYPDWVKGD-UHFFFAOYSA-N
XLogP3.69
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.69
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]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[5,7-diethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-1-pyrrolidin-1-ylethanone (CID 127048802) is 2-[5,7-diethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[5,7-diethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[5,7-diethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-1-pyrrolidin-1-ylethanone is CCc1cc(CC)n2nc(-c3ccc(OC)cc3)c(CC(=O)N3CCCC3)c2n1.
What is the InChIKey of 2-[5,7-diethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is ADEKSUYPDWVKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-4-17-14-18(5-2)27-23(24-17)20(15-21(28)26-12-6-7-13-26)22(25-27)16-8-10-19(29-3)11-9-16/h8-11,14H,4-7,12-13,15H2,1-3H3.
What are the key properties of 2-[5,7-diethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-1-pyrrolidin-1-ylethanone?
2-[5,7-diethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 392.50 g/mol, XLogP of 3.69, 6 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]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 127048802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).