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

C16H16ClN5 — CID 935756

IUPAC1-(4-chlorophenyl)-N-cyclopentylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESClc1ccc(-n2ncc3c(NC4CCCC4)ncnc32)cc1
InChIInChI=1S/C16H16ClN5/c17-11-5-7-13(8-6-11)22-16-14(9-20-22)15(18-10-19-16)21-12-3-1-2-4-12/h5-10,12H,1-4H2,(H,18,19,21)
InChIKeyFJYSZUZJQNVUCZ-UHFFFAOYSA-N
MW313.79 g/mol
LogP3.82
Rot. Bonds3

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

1-(4-chlorophenyl)-N-cyclopentylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 935756) has the molecular formula C16H16ClN5 and a molecular weight of 313.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-cyclopentylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-cyclopentylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID935756
Molecular FormulaC16H16ClN5
Molecular Weight313.79 g/mol
Exact Mass313.11
IUPAC Name1-(4-chlorophenyl)-N-cyclopentylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESClc1ccc(-n2ncc3c(NC4CCCC4)ncnc32)cc1
InChIInChI=1S/C16H16ClN5/c17-11-5-7-13(8-6-11)22-16-14(9-20-22)15(18-10-19-16)21-12-3-1-2-4-12/h5-10,12H,1-4H2,(H,18,19,21)
InChIKeyFJYSZUZJQNVUCZ-UHFFFAOYSA-N
XLogP3.82
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-cyclopentylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-cyclopentylpyrazolo[3,4-d]pyrimidin-4-amine (CID 935756) is 1-(4-chlorophenyl)-N-cyclopentylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-cyclopentylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-cyclopentylpyrazolo[3,4-d]pyrimidin-4-amine is Clc1ccc(-n2ncc3c(NC4CCCC4)ncnc32)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-cyclopentylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is FJYSZUZJQNVUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5/c17-11-5-7-13(8-6-11)22-16-14(9-20-22)15(18-10-19-16)21-12-3-1-2-4-12/h5-10,12H,1-4H2,(H,18,19,21).
What are the key properties of 1-(4-chlorophenyl)-N-cyclopentylpyrazolo[3,4-d]pyrimidin-4-amine?
1-(4-chlorophenyl)-N-cyclopentylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 313.79 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-cyclopentylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 935756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).