3-(4-chlorophenyl)-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-amine

C19H16ClN5 — CID 59633676

IUPAC3-(4-chlorophenyl)-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(-c1ccc(Cl)cc1)nn2CCc1ccccc1
InChIInChI=1S/C19H16ClN5/c20-15-8-6-14(7-9-15)17-16-18(21)22-12-23-19(16)25(24-17)11-10-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H2,21,22,23)
InChIKeyWAFBRFOKLAXZBX-UHFFFAOYSA-N
MW349.83 g/mol
LogP3.97
Rot. Bonds4

About 3-(4-chlorophenyl)-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-amine

3-(4-chlorophenyl)-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 59633676) has the molecular formula C19H16ClN5 and a molecular weight of 349.83 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID59633676
Molecular FormulaC19H16ClN5
Molecular Weight349.83 g/mol
Exact Mass349.11
IUPAC Name3-(4-chlorophenyl)-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(-c1ccc(Cl)cc1)nn2CCc1ccccc1
InChIInChI=1S/C19H16ClN5/c20-15-8-6-14(7-9-15)17-16-18(21)22-12-23-19(16)25(24-17)11-10-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H2,21,22,23)
InChIKeyWAFBRFOKLAXZBX-UHFFFAOYSA-N
XLogP3.97
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.83
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(4-chlorophenyl)-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 59633676) is 3-(4-chlorophenyl)-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(4-chlorophenyl)-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-amine is Nc1ncnc2c1c(-c1ccc(Cl)cc1)nn2CCc1ccccc1.
What is the InChIKey of 3-(4-chlorophenyl)-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is WAFBRFOKLAXZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5/c20-15-8-6-14(7-9-15)17-16-18(21)22-12-23-19(16)25(24-17)11-10-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H2,21,22,23).
What are the key properties of 3-(4-chlorophenyl)-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
3-(4-chlorophenyl)-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 349.83 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 59633676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).