1-(4-aminophenoxy)-3-(4-methylpyrazol-1-yl)propan-2-ol

C13H17N3O2 — CID 62266674

IUPAC1-(4-aminophenoxy)-3-(4-methylpyrazol-1-yl)propan-2-ol
SMILESCc1cnn(CC(O)COc2ccc(N)cc2)c1
InChIInChI=1S/C13H17N3O2/c1-10-6-15-16(7-10)8-12(17)9-18-13-4-2-11(14)3-5-13/h2-7,12,17H,8-9,14H2,1H3
InChIKeySIINNDGLUZQDPS-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.21
Rot. Bonds5

About 1-(4-aminophenoxy)-3-(4-methylpyrazol-1-yl)propan-2-ol

1-(4-aminophenoxy)-3-(4-methylpyrazol-1-yl)propan-2-ol (PubChem CID 62266674) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-(4-aminophenoxy)-3-(4-methylpyrazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(4-aminophenoxy)-3-(4-methylpyrazol-1-yl)propan-2-ol
PubChem CID62266674
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name1-(4-aminophenoxy)-3-(4-methylpyrazol-1-yl)propan-2-ol
SMILESCc1cnn(CC(O)COc2ccc(N)cc2)c1
InChIInChI=1S/C13H17N3O2/c1-10-6-15-16(7-10)8-12(17)9-18-13-4-2-11(14)3-5-13/h2-7,12,17H,8-9,14H2,1H3
InChIKeySIINNDGLUZQDPS-UHFFFAOYSA-N
XLogP1.21
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromopyrazol-1-yl)-3-(3,5-dimethylphenoxy)propan-2-ol
CID 109411726
1-[4-(4-methylpyrazol-1-yl)phenoxy]-3-pyrazol-1-ylpropan-2-ol
CID 167915136
4-[(2R)-2-hydroxy-3-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]propoxy]benzonitrile
CID 95329703
1-(4-aminophenoxy)-3-(4,5-dimethylimidazol-1-yl)propan-2-ol
CID 62350715
1-(4-chloropyrazol-1-yl)-3-(4-ethylphenoxy)propan-2-ol
CID 109411848
(2S)-1-(4-chlorophenoxy)-3-[2-(4-methylpyrazol-1-yl)ethylamino]propan-2-ol
CID 95349657
(2R)-1-(4-fluorophenoxy)-3-[2-(4-methylpyrazol-1-yl)ethylamino]propan-2-ol
CID 95750367
1-(4-aminophenoxy)-3-(4-ethylpiperazin-1-yl)propan-2-ol
CID 43364508
1-(4-chlorophenoxy)-3-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]propan-2-ol
CID 138959888
4-[(2S)-2-hydroxy-3-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propoxy]benzonitrile
CID 95609524
(2R)-1-(4-fluorophenoxy)-3-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]propan-2-ol
CID 100841995
(2R)-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-3-phenoxypropan-2-ol
CID 100841531

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenoxy)-3-(4-methylpyrazol-1-yl)propan-2-ol?
The IUPAC name of 1-(4-aminophenoxy)-3-(4-methylpyrazol-1-yl)propan-2-ol (CID 62266674) is 1-(4-aminophenoxy)-3-(4-methylpyrazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-(4-aminophenoxy)-3-(4-methylpyrazol-1-yl)propan-2-ol?
The canonical SMILES for 1-(4-aminophenoxy)-3-(4-methylpyrazol-1-yl)propan-2-ol is Cc1cnn(CC(O)COc2ccc(N)cc2)c1.
What is the InChIKey of 1-(4-aminophenoxy)-3-(4-methylpyrazol-1-yl)propan-2-ol?
The InChIKey is SIINNDGLUZQDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-10-6-15-16(7-10)8-12(17)9-18-13-4-2-11(14)3-5-13/h2-7,12,17H,8-9,14H2,1H3.
What are the key properties of 1-(4-aminophenoxy)-3-(4-methylpyrazol-1-yl)propan-2-ol?
1-(4-aminophenoxy)-3-(4-methylpyrazol-1-yl)propan-2-ol has a molecular weight of 247.30 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenoxy)-3-(4-methylpyrazol-1-yl)propan-2-ol is sourced from PubChem (CID 62266674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).