3-bromo-7-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidine

C9H7BrClN3 — CID 130565209

IUPAC3-bromo-7-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidine
SMILESClc1cc(C2CC2)nc2c(Br)cnn12
InChIInChI=1S/C9H7BrClN3/c10-6-4-12-14-8(11)3-7(5-1-2-5)13-9(6)14/h3-5H,1-2H2
InChIKeyXEZRIERNFQQMFT-UHFFFAOYSA-N
MW272.53 g/mol
LogP3.02
Rot. Bonds1

About 3-bromo-7-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidine

3-bromo-7-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidine (PubChem CID 130565209) has the molecular formula C9H7BrClN3 and a molecular weight of 272.53 g/mol. Its IUPAC name is 3-bromo-7-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-bromo-7-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidine
PubChem CID130565209
Molecular FormulaC9H7BrClN3
Molecular Weight272.53 g/mol
Exact Mass270.95
IUPAC Name3-bromo-7-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidine
SMILESClc1cc(C2CC2)nc2c(Br)cnn12
InChIInChI=1S/C9H7BrClN3/c10-6-4-12-14-8(11)3-7(5-1-2-5)13-9(6)14/h3-5H,1-2H2
InChIKeyXEZRIERNFQQMFT-UHFFFAOYSA-N
XLogP3.02
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.53
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-bromo-7-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidine (CID 130565209) is 3-bromo-7-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-bromo-7-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-bromo-7-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidine is Clc1cc(C2CC2)nc2c(Br)cnn12.
What is the InChIKey of 3-bromo-7-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidine?
The InChIKey is XEZRIERNFQQMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClN3/c10-6-4-12-14-8(11)3-7(5-1-2-5)13-9(6)14/h3-5H,1-2H2.
What are the key properties of 3-bromo-7-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidine?
3-bromo-7-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidine has a molecular weight of 272.53 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 130565209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).