1-bromo-4-chloropyrazolo[5,4-d]pyrimidine

C5H2BrClN4 — CID 151218537

IUPAC1-bromo-4-chloropyrazolo[5,4-d]pyrimidine
SMILESClc1ncnc2c1cnn2Br
InChIInChI=1S/C5H2BrClN4/c6-11-5-3(1-10-11)4(7)8-2-9-5/h1-2H
InChIKeyNLTYMRXEVHKXQJ-UHFFFAOYSA-N
MW233.46 g/mol
LogP1.64
Rot. Bonds

About 1-bromo-4-chloropyrazolo[5,4-d]pyrimidine

1-bromo-4-chloropyrazolo[5,4-d]pyrimidine (PubChem CID 151218537) has the molecular formula C5H2BrClN4 and a molecular weight of 233.46 g/mol. Its IUPAC name is 1-bromo-4-chloropyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1-bromo-4-chloropyrazolo[5,4-d]pyrimidine
PubChem CID151218537
Molecular FormulaC5H2BrClN4
Molecular Weight233.46 g/mol
Exact Mass231.92
IUPAC Name1-bromo-4-chloropyrazolo[5,4-d]pyrimidine
SMILESClc1ncnc2c1cnn2Br
InChIInChI=1S/C5H2BrClN4/c6-11-5-3(1-10-11)4(7)8-2-9-5/h1-2H
InChIKeyNLTYMRXEVHKXQJ-UHFFFAOYSA-N
XLogP1.64
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.46
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-1-(2-methylpropyl)pyrazolo[5,4-d]pyrimidine
CID 43154809
4-chloro-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine
CID 11207298
4-chloro-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidine
CID 42281587
4-chloro-1-[(4-fluorophenyl)methyl]pyrazolo[5,4-d]pyrimidine
CID 55172408
4-chloro-1-[(Z)-2-phenylethenyl]pyrazolo[5,4-d]pyrimidine
CID 142971941
2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)-N,N-dimethylaniline
CID 91324401
2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)quinoxaline
CID 125484213
tert-butyl 4-chloropyrazolo[5,4-d]pyrimidine-1-carboxylate
CID 87694706
3-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)thiolane 1,1-dioxide
CID 43154808
tert-butyl-[2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)ethoxy]-dimethylsilane
CID 169448663
CID 58338156
CID 58338156
4-chloro-1-[2-(difluoromethyl)-4-fluorophenyl]pyrazolo[5,4-d]pyrimidine
CID 169121498

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-chloropyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1-bromo-4-chloropyrazolo[5,4-d]pyrimidine (CID 151218537) is 1-bromo-4-chloropyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1-bromo-4-chloropyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1-bromo-4-chloropyrazolo[5,4-d]pyrimidine is Clc1ncnc2c1cnn2Br.
What is the InChIKey of 1-bromo-4-chloropyrazolo[5,4-d]pyrimidine?
The InChIKey is NLTYMRXEVHKXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2BrClN4/c6-11-5-3(1-10-11)4(7)8-2-9-5/h1-2H.
What are the key properties of 1-bromo-4-chloropyrazolo[5,4-d]pyrimidine?
1-bromo-4-chloropyrazolo[5,4-d]pyrimidine has a molecular weight of 233.46 g/mol, XLogP of 1.64, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-chloropyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 151218537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).