N-benzyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine

C18H15N5 — CID 660012

IUPACN-benzyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESc1ccc(CNc2ncnc3c2cnn3-c2ccccc2)cc1
InChIInChI=1S/C18H15N5/c1-3-7-14(8-4-1)11-19-17-16-12-22-23(18(16)21-13-20-17)15-9-5-2-6-10-15/h1-10,12-13H,11H2,(H,19,20,21)
InChIKeyXAODGRCKBVFBPM-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.43
Rot. Bonds4

About N-benzyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine

N-benzyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 660012) has the molecular formula C18H15N5 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-benzyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID660012
Molecular FormulaC18H15N5
Molecular Weight301.35 g/mol
Exact Mass301.13
IUPAC NameN-benzyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESc1ccc(CNc2ncnc3c2cnn3-c2ccccc2)cc1
InChIInChI=1S/C18H15N5/c1-3-7-14(8-4-1)11-19-17-16-12-22-23(18(16)21-13-20-17)15-9-5-2-6-10-15/h1-10,12-13H,11H2,(H,19,20,21)
InChIKeyXAODGRCKBVFBPM-UHFFFAOYSA-N
XLogP3.43
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-benzyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-benzyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine (CID 660012) is N-benzyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-benzyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-benzyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine is c1ccc(CNc2ncnc3c2cnn3-c2ccccc2)cc1.
What is the InChIKey of N-benzyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is XAODGRCKBVFBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5/c1-3-7-14(8-4-1)11-19-17-16-12-22-23(18(16)21-13-20-17)15-9-5-2-6-10-15/h1-10,12-13H,11H2,(H,19,20,21).
What are the key properties of N-benzyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
N-benzyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 301.35 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 660012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).