6-chloro-1-cyclopentyl-4-(4-methylphenyl)pyrazolo[3,4-d]pyrimidine

C17H17ClN4 — CID 89449448

IUPAC6-chloro-1-cyclopentyl-4-(4-methylphenyl)pyrazolo[3,4-d]pyrimidine
SMILESCc1ccc(-c2nc(Cl)nc3c2cnn3C2CCCC2)cc1
InChIInChI=1S/C17H17ClN4/c1-11-6-8-12(9-7-11)15-14-10-19-22(13-4-2-3-5-13)16(14)21-17(18)20-15/h6-10,13H,2-5H2,1H3
InChIKeyQRYTZLGXEKQOSP-UHFFFAOYSA-N
MW312.80 g/mol
LogP4.57
Rot. Bonds2

About 6-chloro-1-cyclopentyl-4-(4-methylphenyl)pyrazolo[3,4-d]pyrimidine

6-chloro-1-cyclopentyl-4-(4-methylphenyl)pyrazolo[3,4-d]pyrimidine (PubChem CID 89449448) has the molecular formula C17H17ClN4 and a molecular weight of 312.80 g/mol. Its IUPAC name is 6-chloro-1-cyclopentyl-4-(4-methylphenyl)pyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name6-chloro-1-cyclopentyl-4-(4-methylphenyl)pyrazolo[3,4-d]pyrimidine
PubChem CID89449448
Molecular FormulaC17H17ClN4
Molecular Weight312.80 g/mol
Exact Mass312.11
IUPAC Name6-chloro-1-cyclopentyl-4-(4-methylphenyl)pyrazolo[3,4-d]pyrimidine
SMILESCc1ccc(-c2nc(Cl)nc3c2cnn3C2CCCC2)cc1
InChIInChI=1S/C17H17ClN4/c1-11-6-8-12(9-7-11)15-14-10-19-22(13-4-2-3-5-13)16(14)21-17(18)20-15/h6-10,13H,2-5H2,1H3
InChIKeyQRYTZLGXEKQOSP-UHFFFAOYSA-N
XLogP4.57
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-cyclopentyl-4-(4-methylphenyl)pyrazolo[3,4-d]pyrimidine?
The IUPAC name of 6-chloro-1-cyclopentyl-4-(4-methylphenyl)pyrazolo[3,4-d]pyrimidine (CID 89449448) is 6-chloro-1-cyclopentyl-4-(4-methylphenyl)pyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 6-chloro-1-cyclopentyl-4-(4-methylphenyl)pyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 6-chloro-1-cyclopentyl-4-(4-methylphenyl)pyrazolo[3,4-d]pyrimidine is Cc1ccc(-c2nc(Cl)nc3c2cnn3C2CCCC2)cc1.
What is the InChIKey of 6-chloro-1-cyclopentyl-4-(4-methylphenyl)pyrazolo[3,4-d]pyrimidine?
The InChIKey is QRYTZLGXEKQOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4/c1-11-6-8-12(9-7-11)15-14-10-19-22(13-4-2-3-5-13)16(14)21-17(18)20-15/h6-10,13H,2-5H2,1H3.
What are the key properties of 6-chloro-1-cyclopentyl-4-(4-methylphenyl)pyrazolo[3,4-d]pyrimidine?
6-chloro-1-cyclopentyl-4-(4-methylphenyl)pyrazolo[3,4-d]pyrimidine has a molecular weight of 312.80 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-cyclopentyl-4-(4-methylphenyl)pyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 89449448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).