(3S)-3-phenyl-3-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol

C21H20N4O — CID 95885389

IUPAC(3S)-3-phenyl-3-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol
SMILESOCC[C@H](Nc1cc(-c2ccccc2)nc2ccnn12)c1ccccc1
InChIInChI=1S/C21H20N4O/c26-14-12-18(16-7-3-1-4-8-16)23-21-15-19(17-9-5-2-6-10-17)24-20-11-13-22-25(20)21/h1-11,13,15,18,23,26H,12,14H2/t18-/m0/s1
InChIKeyMBOCEVLFKHHIBF-SFHVURJKSA-N
MW344.42 g/mol
LogP3.93
Rot. Bonds6

About (3S)-3-phenyl-3-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol

(3S)-3-phenyl-3-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol (PubChem CID 95885389) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is (3S)-3-phenyl-3-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol.

Molecular Properties

Compound Name(3S)-3-phenyl-3-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol
PubChem CID95885389
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name(3S)-3-phenyl-3-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol
SMILESOCC[C@H](Nc1cc(-c2ccccc2)nc2ccnn12)c1ccccc1
InChIInChI=1S/C21H20N4O/c26-14-12-18(16-7-3-1-4-8-16)23-21-15-19(17-9-5-2-6-10-17)24-20-11-13-22-25(20)21/h1-11,13,15,18,23,26H,12,14H2/t18-/m0/s1
InChIKeyMBOCEVLFKHHIBF-SFHVURJKSA-N
XLogP3.93
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1S,2R)-1-hydroxy-2-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]phenol
CID 70722404
1-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-2-ol
CID 56884548
N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 95719174
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
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
5-ethyl-N-[(1S)-3-imidazol-1-yl-1-phenylpropyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 95895118
[(1R,2R,4R,5R)-5-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-2-bicyclo[2.2.1]heptanyl]methanol
CID 166380412
(3R)-3-phenyl-3-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol
CID 95881167
(3S)-3-phenyl-3-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol
CID 95881164
N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 95888823

Frequently Asked Questions

What is the IUPAC name of (3S)-3-phenyl-3-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol?
The IUPAC name of (3S)-3-phenyl-3-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol (CID 95885389) is (3S)-3-phenyl-3-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol.
What is the SMILES notation for (3S)-3-phenyl-3-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol?
The canonical SMILES for (3S)-3-phenyl-3-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol is OCC[C@H](Nc1cc(-c2ccccc2)nc2ccnn12)c1ccccc1.
What is the InChIKey of (3S)-3-phenyl-3-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol?
The InChIKey is MBOCEVLFKHHIBF-SFHVURJKSA-N. The full InChI is InChI=1S/C21H20N4O/c26-14-12-18(16-7-3-1-4-8-16)23-21-15-19(17-9-5-2-6-10-17)24-20-11-13-22-25(20)21/h1-11,13,15,18,23,26H,12,14H2/t18-/m0/s1.
What are the key properties of (3S)-3-phenyl-3-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol?
(3S)-3-phenyl-3-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol has a molecular weight of 344.42 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-phenyl-3-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol is sourced from PubChem (CID 95885389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).