N-[(2-chlorophenyl)methyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine

C18H14ClN5 — CID 866514

IUPACN-[(2-chlorophenyl)methyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESClc1ccccc1CNc1ncnc2c1cnn2-c1ccccc1
InChIInChI=1S/C18H14ClN5/c19-16-9-5-4-6-13(16)10-20-17-15-11-23-24(18(15)22-12-21-17)14-7-2-1-3-8-14/h1-9,11-12H,10H2,(H,20,21,22)
InChIKeyOLTNXFHHIQGKAB-UHFFFAOYSA-N
MW335.80 g/mol
LogP4.08
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine

N-[(2-chlorophenyl)methyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 866514) has the molecular formula C18H14ClN5 and a molecular weight of 335.80 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID866514
Molecular FormulaC18H14ClN5
Molecular Weight335.80 g/mol
Exact Mass335.09
IUPAC NameN-[(2-chlorophenyl)methyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESClc1ccccc1CNc1ncnc2c1cnn2-c1ccccc1
InChIInChI=1S/C18H14ClN5/c19-16-9-5-4-6-13(16)10-20-17-15-11-23-24(18(15)22-12-21-17)14-7-2-1-3-8-14/h1-9,11-12H,10H2,(H,20,21,22)
InChIKeyOLTNXFHHIQGKAB-UHFFFAOYSA-N
XLogP4.08
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.80
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine (CID 866514) is N-[(2-chlorophenyl)methyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine is Clc1ccccc1CNc1ncnc2c1cnn2-c1ccccc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is OLTNXFHHIQGKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5/c19-16-9-5-4-6-13(16)10-20-17-15-11-23-24(18(15)22-12-21-17)14-7-2-1-3-8-14/h1-9,11-12H,10H2,(H,20,21,22).
What are the key properties of N-[(2-chlorophenyl)methyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
N-[(2-chlorophenyl)methyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 335.80 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 866514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).