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

C33H34N4O2 — CID 127048800

IUPACN,N-dibenzyl-2-[5,7-diethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide
SMILESCCc1cc(CC)n2nc(-c3ccc(OC)cc3)c(CC(=O)N(Cc3ccccc3)Cc3ccccc3)c2n1
InChIInChI=1S/C33H34N4O2/c1-4-27-20-28(5-2)37-33(34-27)30(32(35-37)26-16-18-29(39-3)19-17-26)21-31(38)36(22-24-12-8-6-9-13-24)23-25-14-10-7-11-15-25/h6-20H,4-5,21-23H2,1-3H3
InChIKeyYFAHDHFVMDIKQX-UHFFFAOYSA-N
MW518.66 g/mol
LogP6.30
Rot. Bonds10

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

N,N-dibenzyl-2-[5,7-diethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide (PubChem CID 127048800) has the molecular formula C33H34N4O2 and a molecular weight of 518.66 g/mol. Its IUPAC name is N,N-dibenzyl-2-[5,7-diethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide.

Molecular Properties

Compound NameN,N-dibenzyl-2-[5,7-diethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide
PubChem CID127048800
Molecular FormulaC33H34N4O2
Molecular Weight518.66 g/mol
Exact Mass518.27
IUPAC NameN,N-dibenzyl-2-[5,7-diethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide
SMILESCCc1cc(CC)n2nc(-c3ccc(OC)cc3)c(CC(=O)N(Cc3ccccc3)Cc3ccccc3)c2n1
InChIInChI=1S/C33H34N4O2/c1-4-27-20-28(5-2)37-33(34-27)30(32(35-37)26-16-18-29(39-3)19-17-26)21-31(38)36(22-24-12-8-6-9-13-24)23-25-14-10-7-11-15-25/h6-20H,4-5,21-23H2,1-3H3
InChIKeyYFAHDHFVMDIKQX-UHFFFAOYSA-N
XLogP6.30
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.66
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-2-[5,7-diethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide?
The IUPAC name of N,N-dibenzyl-2-[5,7-diethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide (CID 127048800) is N,N-dibenzyl-2-[5,7-diethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide.
What is the SMILES notation for N,N-dibenzyl-2-[5,7-diethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide?
The canonical SMILES for N,N-dibenzyl-2-[5,7-diethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide is CCc1cc(CC)n2nc(-c3ccc(OC)cc3)c(CC(=O)N(Cc3ccccc3)Cc3ccccc3)c2n1.
What is the InChIKey of N,N-dibenzyl-2-[5,7-diethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide?
The InChIKey is YFAHDHFVMDIKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N4O2/c1-4-27-20-28(5-2)37-33(34-27)30(32(35-37)26-16-18-29(39-3)19-17-26)21-31(38)36(22-24-12-8-6-9-13-24)23-25-14-10-7-11-15-25/h6-20H,4-5,21-23H2,1-3H3.
What are the key properties of N,N-dibenzyl-2-[5,7-diethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide?
N,N-dibenzyl-2-[5,7-diethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide has a molecular weight of 518.66 g/mol, XLogP of 6.30, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-2-[5,7-diethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide is sourced from PubChem (CID 127048800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).