2-(4-methoxyphenyl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine

C22H21N3O4 — CID 162666469

IUPAC2-(4-methoxyphenyl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2cc3nccc(-c4cc(OC)c(OC)c(OC)c4)n3n2)cc1
InChIInChI=1S/C22H21N3O4/c1-26-16-7-5-14(6-8-16)17-13-21-23-10-9-18(25(21)24-17)15-11-19(27-2)22(29-4)20(12-15)28-3/h5-13H,1-4H3
InChIKeySUSNMDDQOPLBFO-UHFFFAOYSA-N
MW391.43 g/mol
LogP4.10
Rot. Bonds6

About 2-(4-methoxyphenyl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine

2-(4-methoxyphenyl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 162666469) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
PubChem CID162666469
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC Name2-(4-methoxyphenyl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2cc3nccc(-c4cc(OC)c(OC)c(OC)c4)n3n2)cc1
InChIInChI=1S/C22H21N3O4/c1-26-16-7-5-14(6-8-16)17-13-21-23-10-9-18(25(21)24-17)15-11-19(27-2)22(29-4)20(12-15)28-3/h5-13H,1-4H3
InChIKeySUSNMDDQOPLBFO-UHFFFAOYSA-N
XLogP4.10
TPSA67.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-(4-methoxyphenyl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine (CID 162666469) is 2-(4-methoxyphenyl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-(4-methoxyphenyl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-(4-methoxyphenyl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine is COc1ccc(-c2cc3nccc(-c4cc(OC)c(OC)c(OC)c4)n3n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is SUSNMDDQOPLBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-26-16-7-5-14(6-8-16)17-13-21-23-10-9-18(25(21)24-17)15-11-19(27-2)22(29-4)20(12-15)28-3/h5-13H,1-4H3.
What are the key properties of 2-(4-methoxyphenyl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine?
2-(4-methoxyphenyl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 391.43 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 162666469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).