3-bromo-7-chloro-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine

C10H5BrClN3S — CID 21035736

IUPAC3-bromo-7-chloro-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine
SMILESClc1cc(-c2cccs2)nc2c(Br)cnn12
InChIInChI=1S/C10H5BrClN3S/c11-6-5-13-15-9(12)4-7(14-10(6)15)8-2-1-3-16-8/h1-5H
InChIKeyFICMEGZTRGGZNU-UHFFFAOYSA-N
MW314.60 g/mol
LogP3.87
Rot. Bonds1

About 3-bromo-7-chloro-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine

3-bromo-7-chloro-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 21035736) has the molecular formula C10H5BrClN3S and a molecular weight of 314.60 g/mol. Its IUPAC name is 3-bromo-7-chloro-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-bromo-7-chloro-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine
PubChem CID21035736
Molecular FormulaC10H5BrClN3S
Molecular Weight314.60 g/mol
Exact Mass312.91
IUPAC Name3-bromo-7-chloro-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine
SMILESClc1cc(-c2cccs2)nc2c(Br)cnn12
InChIInChI=1S/C10H5BrClN3S/c11-6-5-13-15-9(12)4-7(14-10(6)15)8-2-1-3-16-8/h1-5H
InChIKeyFICMEGZTRGGZNU-UHFFFAOYSA-N
XLogP3.87
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.60
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-chloro-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-bromo-7-chloro-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine (CID 21035736) is 3-bromo-7-chloro-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-bromo-7-chloro-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-bromo-7-chloro-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine is Clc1cc(-c2cccs2)nc2c(Br)cnn12.
What is the InChIKey of 3-bromo-7-chloro-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is FICMEGZTRGGZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrClN3S/c11-6-5-13-15-9(12)4-7(14-10(6)15)8-2-1-3-16-8/h1-5H.
What are the key properties of 3-bromo-7-chloro-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine?
3-bromo-7-chloro-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 314.60 g/mol, XLogP of 3.87, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-chloro-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 21035736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).