1-phenyl-2-[4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethanol

C16H19N5O — CID 11680937

IUPAC1-phenyl-2-[4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethanol
SMILESCCCNc1ncnc2c1cnn2CC(O)c1ccccc1
InChIInChI=1S/C16H19N5O/c1-2-8-17-15-13-9-20-21(16(13)19-11-18-15)10-14(22)12-6-4-3-5-7-12/h3-7,9,11,14,22H,2,8,10H2,1H3,(H,17,18,19)
InChIKeySDPUTSOAEVCZBS-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.38
Rot. Bonds6

About 1-phenyl-2-[4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethanol

1-phenyl-2-[4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethanol (PubChem CID 11680937) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 1-phenyl-2-[4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethanol.

Molecular Properties

Compound Name1-phenyl-2-[4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethanol
PubChem CID11680937
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name1-phenyl-2-[4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethanol
SMILESCCCNc1ncnc2c1cnn2CC(O)c1ccccc1
InChIInChI=1S/C16H19N5O/c1-2-8-17-15-13-9-20-21(16(13)19-11-18-15)10-14(22)12-6-4-3-5-7-12/h3-7,9,11,14,22H,2,8,10H2,1H3,(H,17,18,19)
InChIKeySDPUTSOAEVCZBS-UHFFFAOYSA-N
XLogP2.38
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethanol?
The IUPAC name of 1-phenyl-2-[4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethanol (CID 11680937) is 1-phenyl-2-[4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethanol.
What is the SMILES notation for 1-phenyl-2-[4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethanol?
The canonical SMILES for 1-phenyl-2-[4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethanol is CCCNc1ncnc2c1cnn2CC(O)c1ccccc1.
What is the InChIKey of 1-phenyl-2-[4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethanol?
The InChIKey is SDPUTSOAEVCZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-2-8-17-15-13-9-20-21(16(13)19-11-18-15)10-14(22)12-6-4-3-5-7-12/h3-7,9,11,14,22H,2,8,10H2,1H3,(H,17,18,19).
What are the key properties of 1-phenyl-2-[4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethanol?
1-phenyl-2-[4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethanol has a molecular weight of 297.36 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethanol is sourced from PubChem (CID 11680937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).