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

C23H30N4O2 — CID 71625545

IUPAC2-[5,7-diethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide
SMILESCCc1cc(CC)n2nc(-c3ccc(OC)cc3)c(CC(=O)N(CC)CC)c2n1
InChIInChI=1S/C23H30N4O2/c1-6-17-14-18(7-2)27-23(24-17)20(15-21(28)26(8-3)9-4)22(25-27)16-10-12-19(29-5)13-11-16/h10-14H,6-9,15H2,1-5H3
InChIKeyURABXQFDHFUUOT-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.94
Rot. Bonds8

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

2-[5,7-diethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide (PubChem CID 71625545) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 2-[5,7-diethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[5,7-diethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide
PubChem CID71625545
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name2-[5,7-diethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide
SMILESCCc1cc(CC)n2nc(-c3ccc(OC)cc3)c(CC(=O)N(CC)CC)c2n1
InChIInChI=1S/C23H30N4O2/c1-6-17-14-18(7-2)27-23(24-17)20(15-21(28)26(8-3)9-4)22(25-27)16-10-12-19(29-5)13-11-16/h10-14H,6-9,15H2,1-5H3
InChIKeyURABXQFDHFUUOT-UHFFFAOYSA-N
XLogP3.94
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.94
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,N-diethylacetamide?
The IUPAC name of 2-[5,7-diethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide (CID 71625545) is 2-[5,7-diethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[5,7-diethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide?
The canonical SMILES for 2-[5,7-diethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide is CCc1cc(CC)n2nc(-c3ccc(OC)cc3)c(CC(=O)N(CC)CC)c2n1.
What is the InChIKey of 2-[5,7-diethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide?
The InChIKey is URABXQFDHFUUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-6-17-14-18(7-2)27-23(24-17)20(15-21(28)26(8-3)9-4)22(25-27)16-10-12-19(29-5)13-11-16/h10-14H,6-9,15H2,1-5H3.
What are the key properties of 2-[5,7-diethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide?
2-[5,7-diethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide has a molecular weight of 394.52 g/mol, XLogP of 3.94, 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,N-diethylacetamide is sourced from PubChem (CID 71625545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).