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

C17H19N5 — CID 895441

IUPAC1-[(4-methylphenyl)methyl]-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine
SMILESCc1ccc(Cn2ncc3c(N4CCCC4)ncnc32)cc1
InChIInChI=1S/C17H19N5/c1-13-4-6-14(7-5-13)11-22-17-15(10-20-22)16(18-12-19-17)21-8-2-3-9-21/h4-7,10,12H,2-3,8-9,11H2,1H3
InChIKeyFTGIBRSOVXQSRU-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.78
Rot. Bonds3

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

1-[(4-methylphenyl)methyl]-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine (PubChem CID 895441) has the molecular formula C17H19N5 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine
PubChem CID895441
Molecular FormulaC17H19N5
Molecular Weight293.37 g/mol
Exact Mass293.16
IUPAC Name1-[(4-methylphenyl)methyl]-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine
SMILESCc1ccc(Cn2ncc3c(N4CCCC4)ncnc32)cc1
InChIInChI=1S/C17H19N5/c1-13-4-6-14(7-5-13)11-22-17-15(10-20-22)16(18-12-19-17)21-8-2-3-9-21/h4-7,10,12H,2-3,8-9,11H2,1H3
InChIKeyFTGIBRSOVXQSRU-UHFFFAOYSA-N
XLogP2.78
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1-[(4-methylphenyl)methyl]-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine (CID 895441) is 1-[(4-methylphenyl)methyl]-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1-[(4-methylphenyl)methyl]-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine is Cc1ccc(Cn2ncc3c(N4CCCC4)ncnc32)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine?
The InChIKey is FTGIBRSOVXQSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5/c1-13-4-6-14(7-5-13)11-22-17-15(10-20-22)16(18-12-19-17)21-8-2-3-9-21/h4-7,10,12H,2-3,8-9,11H2,1H3.
What are the key properties of 1-[(4-methylphenyl)methyl]-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine?
1-[(4-methylphenyl)methyl]-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine has a molecular weight of 293.37 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 895441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).