1-(3-chlorophenyl)-N-methylpyrazolo[3,4-d]pyrimidin-4-amine

C12H10ClN5 — CID 17017215

IUPAC1-(3-chlorophenyl)-N-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCNc1ncnc2c1cnn2-c1cccc(Cl)c1
InChIInChI=1S/C12H10ClN5/c1-14-11-10-6-17-18(12(10)16-7-15-11)9-4-2-3-8(13)5-9/h2-7H,1H3,(H,14,15,16)
InChIKeyWVLKPURWXYRYDV-UHFFFAOYSA-N
MW259.70 g/mol
LogP2.51
Rot. Bonds2

About 1-(3-chlorophenyl)-N-methylpyrazolo[3,4-d]pyrimidin-4-amine

1-(3-chlorophenyl)-N-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 17017215) has the molecular formula C12H10ClN5 and a molecular weight of 259.70 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID17017215
Molecular FormulaC12H10ClN5
Molecular Weight259.70 g/mol
Exact Mass259.06
IUPAC Name1-(3-chlorophenyl)-N-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCNc1ncnc2c1cnn2-c1cccc(Cl)c1
InChIInChI=1S/C12H10ClN5/c1-14-11-10-6-17-18(12(10)16-7-15-11)9-4-2-3-8(13)5-9/h2-7H,1H3,(H,14,15,16)
InChIKeyWVLKPURWXYRYDV-UHFFFAOYSA-N
XLogP2.51
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.70
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3-chlorophenyl)-N-methylpyrazolo[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 1-(3-chlorophenyl)-N-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-(3-chlorophenyl)-N-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 17017215) is 1-(3-chlorophenyl)-N-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-(3-chlorophenyl)-N-methylpyrazolo[3,4-d]pyrimidin-4-amine is CNc1ncnc2c1cnn2-c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is WVLKPURWXYRYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN5/c1-14-11-10-6-17-18(12(10)16-7-15-11)9-4-2-3-8(13)5-9/h2-7H,1H3,(H,14,15,16).
What are the key properties of 1-(3-chlorophenyl)-N-methylpyrazolo[3,4-d]pyrimidin-4-amine?
1-(3-chlorophenyl)-N-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 259.70 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 17017215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).