4-chloro-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine

C12H9ClN4 — CID 11207298

IUPAC4-chloro-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine
SMILESCc1ccc(-n2ncc3c(Cl)ncnc32)cc1
InChIInChI=1S/C12H9ClN4/c1-8-2-4-9(5-3-8)17-12-10(6-16-17)11(13)14-7-15-12/h2-7H,1H3
InChIKeyJJCDCMDVPYDUEU-UHFFFAOYSA-N
MW244.69 g/mol
LogP2.78
Rot. Bonds1

About 4-chloro-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine

4-chloro-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine (PubChem CID 11207298) has the molecular formula C12H9ClN4 and a molecular weight of 244.69 g/mol. Its IUPAC name is 4-chloro-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine
PubChem CID11207298
Molecular FormulaC12H9ClN4
Molecular Weight244.69 g/mol
Exact Mass244.05
IUPAC Name4-chloro-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine
SMILESCc1ccc(-n2ncc3c(Cl)ncnc32)cc1
InChIInChI=1S/C12H9ClN4/c1-8-2-4-9(5-3-8)17-12-10(6-16-17)11(13)14-7-15-12/h2-7H,1H3
InChIKeyJJCDCMDVPYDUEU-UHFFFAOYSA-N
XLogP2.78
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.69
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidine
CID 42281587
[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
CID 46299479
4-(4-methylphenoxy)-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine
CID 8539532
2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)-N,N-dimethylaniline
CID 91324401
4-(4-fluorophenoxy)-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine
CID 8539514
1-(4-methylphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 7188740
4-chloro-1-[3-(trifluoromethoxy)phenyl]pyrazolo[5,4-d]pyrimidine
CID 71377348
(2R)-1-[[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propan-2-ol
CID 7205599
N-(3,4-dimethylphenyl)-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 7188731
1-(4-chlorophenyl)-N-(2,4,6-trimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 4082477
2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)quinoxaline
CID 125484213
1-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 7205340

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-chloro-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine (CID 11207298) is 4-chloro-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-chloro-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-chloro-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine is Cc1ccc(-n2ncc3c(Cl)ncnc32)cc1.
What is the InChIKey of 4-chloro-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine?
The InChIKey is JJCDCMDVPYDUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4/c1-8-2-4-9(5-3-8)17-12-10(6-16-17)11(13)14-7-15-12/h2-7H,1H3.
What are the key properties of 4-chloro-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine?
4-chloro-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine has a molecular weight of 244.69 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 11207298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).