N-(3-chloro-4-methylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine

C18H14ClN5 — CID 4531056

IUPACN-(3-chloro-4-methylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1ccc(Nc2ncnc3c2cnn3-c2ccccc2)cc1Cl
InChIInChI=1S/C18H14ClN5/c1-12-7-8-13(9-16(12)19)23-17-15-10-22-24(18(15)21-11-20-17)14-5-3-2-4-6-14/h2-11H,1H3,(H,20,21,23)
InChIKeyWVLVIEMFTRETPW-UHFFFAOYSA-N
MW335.80 g/mol
LogP4.52
Rot. Bonds3

About N-(3-chloro-4-methylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine

N-(3-chloro-4-methylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 4531056) has the molecular formula C18H14ClN5 and a molecular weight of 335.80 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID4531056
Molecular FormulaC18H14ClN5
Molecular Weight335.80 g/mol
Exact Mass335.09
IUPAC NameN-(3-chloro-4-methylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1ccc(Nc2ncnc3c2cnn3-c2ccccc2)cc1Cl
InChIInChI=1S/C18H14ClN5/c1-12-7-8-13(9-16(12)19)23-17-15-10-22-24(18(15)21-11-20-17)14-5-3-2-4-6-14/h2-11H,1H3,(H,20,21,23)
InChIKeyWVLVIEMFTRETPW-UHFFFAOYSA-N
XLogP4.52
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.80
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-chloro-4-methylphenyl)-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-(3-chloro-4-methylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(3-chloro-4-methylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine (CID 4531056) is N-(3-chloro-4-methylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine is Cc1ccc(Nc2ncnc3c2cnn3-c2ccccc2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is WVLVIEMFTRETPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5/c1-12-7-8-13(9-16(12)19)23-17-15-10-22-24(18(15)21-11-20-17)14-5-3-2-4-6-14/h2-11H,1H3,(H,20,21,23).
What are the key properties of N-(3-chloro-4-methylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
N-(3-chloro-4-methylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 335.80 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 4531056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).