1-amino-3-(4-pyrazolo[1,5-a]pyrimidin-3-ylphenoxy)propan-2-ol

C15H16N4O2 — CID 166374640

IUPAC1-amino-3-(4-pyrazolo[1,5-a]pyrimidin-3-ylphenoxy)propan-2-ol
SMILESNCC(O)COc1ccc(-c2cnn3cccnc23)cc1
InChIInChI=1S/C15H16N4O2/c16-8-12(20)10-21-13-4-2-11(3-5-13)14-9-18-19-7-1-6-17-15(14)19/h1-7,9,12,20H,8,10,16H2
InChIKeyUDCGYXHSWXKXPP-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.09
Rot. Bonds5

About 1-amino-3-(4-pyrazolo[1,5-a]pyrimidin-3-ylphenoxy)propan-2-ol

1-amino-3-(4-pyrazolo[1,5-a]pyrimidin-3-ylphenoxy)propan-2-ol (PubChem CID 166374640) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 1-amino-3-(4-pyrazolo[1,5-a]pyrimidin-3-ylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-amino-3-(4-pyrazolo[1,5-a]pyrimidin-3-ylphenoxy)propan-2-ol
PubChem CID166374640
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name1-amino-3-(4-pyrazolo[1,5-a]pyrimidin-3-ylphenoxy)propan-2-ol
SMILESNCC(O)COc1ccc(-c2cnn3cccnc23)cc1
InChIInChI=1S/C15H16N4O2/c16-8-12(20)10-21-13-4-2-11(3-5-13)14-9-18-19-7-1-6-17-15(14)19/h1-7,9,12,20H,8,10,16H2
InChIKeyUDCGYXHSWXKXPP-UHFFFAOYSA-N
XLogP1.09
TPSA85.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 71150900
(2R)-3-(4-pyrazol-1-ylphenoxy)propane-1,2-diol
CID 171439964
(2S)-1-(4-phenylphenoxy)-3-pyrazol-1-ylpropan-2-ol
CID 40793174
4-methyl-5-[4-pyrazolo[1,5-a]pyrimidin-3-yl-2-(trifluoromethyl)phenoxy]pentan-2-amine
CID 145286224
(2S)-1-amino-3-(4-chlorophenoxy)propan-2-ol
CID 2049238
(2S)-1-amino-3-[4-[[4-[(2S)-3-amino-2-hydroxypropoxy]phenyl]methyl]phenoxy]propan-2-ol
CID 34178474
3-pyrazolo[1,5-a]pyrimidin-3-ylbenzonitrile
CID 122400853
trimethyl-[2-[[2-(4-pyrazolo[1,5-a]pyrimidin-3-ylphenyl)-1H-imidazol-5-yl]methoxy]ethyl]silane
CID 123407707
(2S)-2,4-dimethyl-1-(2-methyl-4-pyrazolo[1,5-a]pyrimidin-3-ylphenoxy)pentan-2-amine
CID 137472254
1-amino-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 16642374
[(4S)-2,4-dimethyl-5-[4-pyrazolo[1,5-a]pyrimidin-3-yl-2-(trifluoromethyl)phenoxy]pentan-2-yl]carbamic acid
CID 135284567
1-(4-fluorophenoxy)-3-pyrazol-1-ylpropan-2-ol
CID 109411608

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(4-pyrazolo[1,5-a]pyrimidin-3-ylphenoxy)propan-2-ol?
The IUPAC name of 1-amino-3-(4-pyrazolo[1,5-a]pyrimidin-3-ylphenoxy)propan-2-ol (CID 166374640) is 1-amino-3-(4-pyrazolo[1,5-a]pyrimidin-3-ylphenoxy)propan-2-ol.
What is the SMILES notation for 1-amino-3-(4-pyrazolo[1,5-a]pyrimidin-3-ylphenoxy)propan-2-ol?
The canonical SMILES for 1-amino-3-(4-pyrazolo[1,5-a]pyrimidin-3-ylphenoxy)propan-2-ol is NCC(O)COc1ccc(-c2cnn3cccnc23)cc1.
What is the InChIKey of 1-amino-3-(4-pyrazolo[1,5-a]pyrimidin-3-ylphenoxy)propan-2-ol?
The InChIKey is UDCGYXHSWXKXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c16-8-12(20)10-21-13-4-2-11(3-5-13)14-9-18-19-7-1-6-17-15(14)19/h1-7,9,12,20H,8,10,16H2.
What are the key properties of 1-amino-3-(4-pyrazolo[1,5-a]pyrimidin-3-ylphenoxy)propan-2-ol?
1-amino-3-(4-pyrazolo[1,5-a]pyrimidin-3-ylphenoxy)propan-2-ol has a molecular weight of 284.32 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(4-pyrazolo[1,5-a]pyrimidin-3-ylphenoxy)propan-2-ol is sourced from PubChem (CID 166374640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).