1-(4-chlorophenyl)-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

C14H14ClN5 — CID 866407

IUPAC1-(4-chlorophenyl)-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)Nc1ncnc2c1cnn2-c1ccc(Cl)cc1
InChIInChI=1S/C14H14ClN5/c1-9(2)19-13-12-7-18-20(14(12)17-8-16-13)11-5-3-10(15)4-6-11/h3-9H,1-2H3,(H,16,17,19)
InChIKeyDJYPPKXJBSHHDF-UHFFFAOYSA-N
MW287.75 g/mol
LogP3.29
Rot. Bonds3

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

1-(4-chlorophenyl)-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 866407) has the molecular formula C14H14ClN5 and a molecular weight of 287.75 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID866407
Molecular FormulaC14H14ClN5
Molecular Weight287.75 g/mol
Exact Mass287.09
IUPAC Name1-(4-chlorophenyl)-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)Nc1ncnc2c1cnn2-c1ccc(Cl)cc1
InChIInChI=1S/C14H14ClN5/c1-9(2)19-13-12-7-18-20(14(12)17-8-16-13)11-5-3-10(15)4-6-11/h3-9H,1-2H3,(H,16,17,19)
InChIKeyDJYPPKXJBSHHDF-UHFFFAOYSA-N
XLogP3.29
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.29
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-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 866407) is 1-(4-chlorophenyl)-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is CC(C)Nc1ncnc2c1cnn2-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is DJYPPKXJBSHHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN5/c1-9(2)19-13-12-7-18-20(14(12)17-8-16-13)11-5-3-10(15)4-6-11/h3-9H,1-2H3,(H,16,17,19).
What are the key properties of 1-(4-chlorophenyl)-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
1-(4-chlorophenyl)-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 287.75 g/mol, XLogP of 3.29, 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-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 866407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).