2-[[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol

C15H16ClN5O2 — CID 866541

IUPAC2-[[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol
SMILESOCCN(CCO)c1ncnc2c1cnn2-c1ccc(Cl)cc1
InChIInChI=1S/C15H16ClN5O2/c16-11-1-3-12(4-2-11)21-15-13(9-19-21)14(17-10-18-15)20(5-7-22)6-8-23/h1-4,9-10,22-23H,5-8H2
InChIKeyOLOTUEPQRXPVRQ-UHFFFAOYSA-N
MW333.78 g/mol
LogP1.26
Rot. Bonds6

About 2-[[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol

2-[[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol (PubChem CID 866541) has the molecular formula C15H16ClN5O2 and a molecular weight of 333.78 g/mol. Its IUPAC name is 2-[[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol
PubChem CID866541
Molecular FormulaC15H16ClN5O2
Molecular Weight333.78 g/mol
Exact Mass333.10
IUPAC Name2-[[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol
SMILESOCCN(CCO)c1ncnc2c1cnn2-c1ccc(Cl)cc1
InChIInChI=1S/C15H16ClN5O2/c16-11-1-3-12(4-2-11)21-15-13(9-19-21)14(17-10-18-15)20(5-7-22)6-8-23/h1-4,9-10,22-23H,5-8H2
InChIKeyOLOTUEPQRXPVRQ-UHFFFAOYSA-N
XLogP1.26
TPSA87.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.78
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N,N-diethyl-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-amine
CID 7205366
2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetamide
CID 3786017
1-(4-chlorophenyl)-4-ethylsulfanylpyrazolo[5,4-d]pyrimidine
CID 7199843
N-ethyl-1-phenyl-N-(3,3,3-trifluoropropyl)pyrazolo[5,4-d]pyrimidin-4-amine
CID 133279240
1-(4-chlorophenyl)-N-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 5092933
2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-1-(3,4-dichlorophenyl)ethanone
CID 4602934
1-(4-chlorophenyl)-N-(2-hydroxyethyl)-N-methyl-5-propan-2-ylpyrazole-4-carboxamide
CID 110885932
1-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 5213859
1-(4-chlorophenyl)-N-(2,2-dimethoxyethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 4100004
4-chloro-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine
CID 11207298
1-(4-chlorophenyl)-5-[(4-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 6623238
2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(3,5-dimethylphenyl)acetamide
CID 2042918

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol (CID 866541) is 2-[[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol is OCCN(CCO)c1ncnc2c1cnn2-c1ccc(Cl)cc1.
What is the InChIKey of 2-[[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol?
The InChIKey is OLOTUEPQRXPVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5O2/c16-11-1-3-12(4-2-11)21-15-13(9-19-21)14(17-10-18-15)20(5-7-22)6-8-23/h1-4,9-10,22-23H,5-8H2.
What are the key properties of 2-[[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol?
2-[[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol has a molecular weight of 333.78 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 866541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).