4-chloro-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidine

C12H9ClN4 — CID 42281587

IUPAC4-chloro-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidine
SMILESCc1ccccc1-n1ncc2c(Cl)ncnc21
InChIInChI=1S/C12H9ClN4/c1-8-4-2-3-5-10(8)17-12-9(6-16-17)11(13)14-7-15-12/h2-7H,1H3
InChIKeyFQPDDPVPETUUKP-UHFFFAOYSA-N
MW244.69 g/mol
LogP2.78
Rot. Bonds1

About 4-chloro-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidine

4-chloro-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidine (PubChem CID 42281587) has the molecular formula C12H9ClN4 and a molecular weight of 244.69 g/mol. Its IUPAC name is 4-chloro-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidine
PubChem CID42281587
Molecular FormulaC12H9ClN4
Molecular Weight244.69 g/mol
Exact Mass244.05
IUPAC Name4-chloro-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidine
SMILESCc1ccccc1-n1ncc2c(Cl)ncnc21
InChIInChI=1S/C12H9ClN4/c1-8-4-2-3-5-10(8)17-12-9(6-16-17)11(13)14-7-15-12/h2-7H,1H3
InChIKeyFQPDDPVPETUUKP-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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-chloro-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidine (CID 42281587) is 4-chloro-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-chloro-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-chloro-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidine is Cc1ccccc1-n1ncc2c(Cl)ncnc21.
What is the InChIKey of 4-chloro-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidine?
The InChIKey is FQPDDPVPETUUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4/c1-8-4-2-3-5-10(8)17-12-9(6-16-17)11(13)14-7-15-12/h2-7H,1H3.
What are the key properties of 4-chloro-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidine?
4-chloro-1-(2-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-(2-methylphenyl)pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 42281587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).