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

C19H17N5O — CID 875439

IUPACN-(4-ethoxyphenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCOc1ccc(Nc2ncnc3c2cnn3-c2ccccc2)cc1
InChIInChI=1S/C19H17N5O/c1-2-25-16-10-8-14(9-11-16)23-18-17-12-22-24(19(17)21-13-20-18)15-6-4-3-5-7-15/h3-13H,2H2,1H3,(H,20,21,23)
InChIKeyPZEBHXQTAHIDHI-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.96
Rot. Bonds5

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

N-(4-ethoxyphenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 875439) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID875439
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC NameN-(4-ethoxyphenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCOc1ccc(Nc2ncnc3c2cnn3-c2ccccc2)cc1
InChIInChI=1S/C19H17N5O/c1-2-25-16-10-8-14(9-11-16)23-18-17-12-22-24(19(17)21-13-20-18)15-6-4-3-5-7-15/h3-13H,2H2,1H3,(H,20,21,23)
InChIKeyPZEBHXQTAHIDHI-UHFFFAOYSA-N
XLogP3.96
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(4-ethoxyphenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine (CID 875439) is N-(4-ethoxyphenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(4-ethoxyphenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(4-ethoxyphenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine is CCOc1ccc(Nc2ncnc3c2cnn3-c2ccccc2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is PZEBHXQTAHIDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c1-2-25-16-10-8-14(9-11-16)23-18-17-12-22-24(19(17)21-13-20-18)15-6-4-3-5-7-15/h3-13H,2H2,1H3,(H,20,21,23).
What are the key properties of N-(4-ethoxyphenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
N-(4-ethoxyphenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 331.38 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 875439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).