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

C27H30N4O2 — CID 127048799

IUPAC2-[5,7-diethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-ethyl-N-phenylacetamide
SMILESCCc1cc(CC)n2nc(-c3ccc(OC)cc3)c(CC(=O)N(CC)c3ccccc3)c2n1
InChIInChI=1S/C27H30N4O2/c1-5-20-17-21(6-2)31-27(28-20)24(26(29-31)19-13-15-23(33-4)16-14-19)18-25(32)30(7-3)22-11-9-8-10-12-22/h8-17H,5-7,18H2,1-4H3
InChIKeyFXXXIMZIANBQLJ-UHFFFAOYSA-N
MW442.56 g/mol
LogP5.13
Rot. Bonds8

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

2-[5,7-diethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-ethyl-N-phenylacetamide (PubChem CID 127048799) has the molecular formula C27H30N4O2 and a molecular weight of 442.56 g/mol. Its IUPAC name is 2-[5,7-diethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-ethyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[5,7-diethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-ethyl-N-phenylacetamide
PubChem CID127048799
Molecular FormulaC27H30N4O2
Molecular Weight442.56 g/mol
Exact Mass442.24
IUPAC Name2-[5,7-diethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-ethyl-N-phenylacetamide
SMILESCCc1cc(CC)n2nc(-c3ccc(OC)cc3)c(CC(=O)N(CC)c3ccccc3)c2n1
InChIInChI=1S/C27H30N4O2/c1-5-20-17-21(6-2)31-27(28-20)24(26(29-31)19-13-15-23(33-4)16-14-19)18-25(32)30(7-3)22-11-9-8-10-12-22/h8-17H,5-7,18H2,1-4H3
InChIKeyFXXXIMZIANBQLJ-UHFFFAOYSA-N
XLogP5.13
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.56
LogP ≤ 55.13
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-ethyl-N-phenylacetamide?
The IUPAC name of 2-[5,7-diethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-ethyl-N-phenylacetamide (CID 127048799) is 2-[5,7-diethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-ethyl-N-phenylacetamide.
What is the SMILES notation for 2-[5,7-diethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-ethyl-N-phenylacetamide?
The canonical SMILES for 2-[5,7-diethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-ethyl-N-phenylacetamide is CCc1cc(CC)n2nc(-c3ccc(OC)cc3)c(CC(=O)N(CC)c3ccccc3)c2n1.
What is the InChIKey of 2-[5,7-diethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-ethyl-N-phenylacetamide?
The InChIKey is FXXXIMZIANBQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O2/c1-5-20-17-21(6-2)31-27(28-20)24(26(29-31)19-13-15-23(33-4)16-14-19)18-25(32)30(7-3)22-11-9-8-10-12-22/h8-17H,5-7,18H2,1-4H3.
What are the key properties of 2-[5,7-diethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-ethyl-N-phenylacetamide?
2-[5,7-diethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-ethyl-N-phenylacetamide has a molecular weight of 442.56 g/mol, XLogP of 5.13, 8 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-ethyl-N-phenylacetamide is sourced from PubChem (CID 127048799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).