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

C24H22BrN3O2 — CID 24776039

IUPAC2-(2-bromophenyl)-7-(3-cyclopentyloxy-4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2ccnc3cc(-c4ccccc4Br)nn23)cc1OC1CCCC1
InChIInChI=1S/C24H22BrN3O2/c1-29-22-11-10-16(14-23(22)30-17-6-2-3-7-17)21-12-13-26-24-15-20(27-28(21)24)18-8-4-5-9-19(18)25/h4-5,8-15,17H,2-3,6-7H2,1H3
InChIKeyXINTTWWAJNHQJU-UHFFFAOYSA-N
MW464.36 g/mol
LogP6.16
Rot. Bonds5

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

2-(2-bromophenyl)-7-(3-cyclopentyloxy-4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 24776039) has the molecular formula C24H22BrN3O2 and a molecular weight of 464.36 g/mol. Its IUPAC name is 2-(2-bromophenyl)-7-(3-cyclopentyloxy-4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-(2-bromophenyl)-7-(3-cyclopentyloxy-4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
PubChem CID24776039
Molecular FormulaC24H22BrN3O2
Molecular Weight464.36 g/mol
Exact Mass463.09
IUPAC Name2-(2-bromophenyl)-7-(3-cyclopentyloxy-4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2ccnc3cc(-c4ccccc4Br)nn23)cc1OC1CCCC1
InChIInChI=1S/C24H22BrN3O2/c1-29-22-11-10-16(14-23(22)30-17-6-2-3-7-17)21-12-13-26-24-15-20(27-28(21)24)18-8-4-5-9-19(18)25/h4-5,8-15,17H,2-3,6-7H2,1H3
InChIKeyXINTTWWAJNHQJU-UHFFFAOYSA-N
XLogP6.16
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.36
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-7-(3-cyclopentyloxy-4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-(2-bromophenyl)-7-(3-cyclopentyloxy-4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine (CID 24776039) is 2-(2-bromophenyl)-7-(3-cyclopentyloxy-4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-(2-bromophenyl)-7-(3-cyclopentyloxy-4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-(2-bromophenyl)-7-(3-cyclopentyloxy-4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine is COc1ccc(-c2ccnc3cc(-c4ccccc4Br)nn23)cc1OC1CCCC1.
What is the InChIKey of 2-(2-bromophenyl)-7-(3-cyclopentyloxy-4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is XINTTWWAJNHQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22BrN3O2/c1-29-22-11-10-16(14-23(22)30-17-6-2-3-7-17)21-12-13-26-24-15-20(27-28(21)24)18-8-4-5-9-19(18)25/h4-5,8-15,17H,2-3,6-7H2,1H3.
What are the key properties of 2-(2-bromophenyl)-7-(3-cyclopentyloxy-4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine?
2-(2-bromophenyl)-7-(3-cyclopentyloxy-4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 464.36 g/mol, XLogP of 6.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-7-(3-cyclopentyloxy-4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 24776039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).