1-[(4-chlorophenyl)methyl]-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine

C16H16ClN5 — CID 929952

IUPAC1-[(4-chlorophenyl)methyl]-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine
SMILESClc1ccc(Cn2ncc3c(N4CCCC4)ncnc32)cc1
InChIInChI=1S/C16H16ClN5/c17-13-5-3-12(4-6-13)10-22-16-14(9-20-22)15(18-11-19-16)21-7-1-2-8-21/h3-6,9,11H,1-2,7-8,10H2
InChIKeyBZAUOZDSCAXZTF-UHFFFAOYSA-N
MW313.79 g/mol
LogP3.13
Rot. Bonds3

About 1-[(4-chlorophenyl)methyl]-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine

1-[(4-chlorophenyl)methyl]-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine (PubChem CID 929952) has the molecular formula C16H16ClN5 and a molecular weight of 313.79 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine
PubChem CID929952
Molecular FormulaC16H16ClN5
Molecular Weight313.79 g/mol
Exact Mass313.11
IUPAC Name1-[(4-chlorophenyl)methyl]-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine
SMILESClc1ccc(Cn2ncc3c(N4CCCC4)ncnc32)cc1
InChIInChI=1S/C16H16ClN5/c17-13-5-3-12(4-6-13)10-22-16-14(9-20-22)15(18-11-19-16)21-7-1-2-8-21/h3-6,9,11H,1-2,7-8,10H2
InChIKeyBZAUOZDSCAXZTF-UHFFFAOYSA-N
XLogP3.13
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine (CID 929952) is 1-[(4-chlorophenyl)methyl]-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine is Clc1ccc(Cn2ncc3c(N4CCCC4)ncnc32)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine?
The InChIKey is BZAUOZDSCAXZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5/c17-13-5-3-12(4-6-13)10-22-16-14(9-20-22)15(18-11-19-16)21-7-1-2-8-21/h3-6,9,11H,1-2,7-8,10H2.
What are the key properties of 1-[(4-chlorophenyl)methyl]-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine?
1-[(4-chlorophenyl)methyl]-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine has a molecular weight of 313.79 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 929952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).