4-[(1S,2R)-1-hydroxy-2-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]phenol

C21H20N4O2 — CID 70722404

IUPAC4-[(1S,2R)-1-hydroxy-2-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]phenol
SMILESC[C@@H](Nc1cc(-c2ccccc2)nc2ccnn12)[C@@H](O)c1ccc(O)cc1
InChIInChI=1S/C21H20N4O2/c1-14(21(27)16-7-9-17(26)10-8-16)23-20-13-18(15-5-3-2-4-6-15)24-19-11-12-22-25(19)20/h2-14,21,23,26-27H,1H3/t14-,21-/m1/s1
InChIKeyAMOONCLLUZUCGB-SPLOXXLWSA-N
MW360.42 g/mol
LogP3.64
Rot. Bonds5

About 4-[(1S,2R)-1-hydroxy-2-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]phenol

4-[(1S,2R)-1-hydroxy-2-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]phenol (PubChem CID 70722404) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 4-[(1S,2R)-1-hydroxy-2-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]phenol.

Molecular Properties

Compound Name4-[(1S,2R)-1-hydroxy-2-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]phenol
PubChem CID70722404
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name4-[(1S,2R)-1-hydroxy-2-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]phenol
SMILESC[C@@H](Nc1cc(-c2ccccc2)nc2ccnn12)[C@@H](O)c1ccc(O)cc1
InChIInChI=1S/C21H20N4O2/c1-14(21(27)16-7-9-17(26)10-8-16)23-20-13-18(15-5-3-2-4-6-15)24-19-11-12-22-25(19)20/h2-14,21,23,26-27H,1H3/t14-,21-/m1/s1
InChIKeyAMOONCLLUZUCGB-SPLOXXLWSA-N
XLogP3.64
TPSA82.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[(1S,2R)-1-hydroxy-2-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-2-ol
CID 56884548
5-phenyl-N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 95712908
(3S)-3-phenyl-3-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol
CID 95885389
N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 95719174
5-methoxy-2-(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)phenol
CID 135949504
4-(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)naphthalen-1-ol
CID 136810727
7-methyl-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
CID 71200006
5-(4-fluorophenyl)-N-[(1R)-1-pyridin-3-ylpropyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 95863143
5-(4-fluorophenyl)-N-[(1S)-1-pyridin-3-ylpropyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 95863142
5-(4-fluorophenyl)-N-(1-pyridin-3-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 56918481
[(1R,2R,4R,5R)-5-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-2-bicyclo[2.2.1]heptanyl]methanol
CID 166380412
5-phenyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 56899654

Frequently Asked Questions

What is the IUPAC name of 4-[(1S,2R)-1-hydroxy-2-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]phenol?
The IUPAC name of 4-[(1S,2R)-1-hydroxy-2-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]phenol (CID 70722404) is 4-[(1S,2R)-1-hydroxy-2-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]phenol.
What is the SMILES notation for 4-[(1S,2R)-1-hydroxy-2-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]phenol?
The canonical SMILES for 4-[(1S,2R)-1-hydroxy-2-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]phenol is C[C@@H](Nc1cc(-c2ccccc2)nc2ccnn12)[C@@H](O)c1ccc(O)cc1.
What is the InChIKey of 4-[(1S,2R)-1-hydroxy-2-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]phenol?
The InChIKey is AMOONCLLUZUCGB-SPLOXXLWSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-14(21(27)16-7-9-17(26)10-8-16)23-20-13-18(15-5-3-2-4-6-15)24-19-11-12-22-25(19)20/h2-14,21,23,26-27H,1H3/t14-,21-/m1/s1.
What are the key properties of 4-[(1S,2R)-1-hydroxy-2-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]phenol?
4-[(1S,2R)-1-hydroxy-2-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]phenol has a molecular weight of 360.42 g/mol, XLogP of 3.64, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,2R)-1-hydroxy-2-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]phenol is sourced from PubChem (CID 70722404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).