1-[3-(aminomethyl)phenoxy]-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol

C15H21N3O2 — CID 43531447

IUPAC1-[3-(aminomethyl)phenoxy]-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol
SMILESCc1cc(C)n(CC(O)COc2cccc(CN)c2)n1
InChIInChI=1S/C15H21N3O2/c1-11-6-12(2)18(17-11)9-14(19)10-20-15-5-3-4-13(7-15)8-16/h3-7,14,19H,8-10,16H2,1-2H3
InChIKeyWHGSGEVEYGMCOH-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.40
Rot. Bonds6

About 1-[3-(aminomethyl)phenoxy]-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol

1-[3-(aminomethyl)phenoxy]-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol (PubChem CID 43531447) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-[3-(aminomethyl)phenoxy]-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-[3-(aminomethyl)phenoxy]-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol
PubChem CID43531447
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-[3-(aminomethyl)phenoxy]-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol
SMILESCc1cc(C)n(CC(O)COc2cccc(CN)c2)n1
InChIInChI=1S/C15H21N3O2/c1-11-6-12(2)18(17-11)9-14(19)10-20-15-5-3-4-13(7-15)8-16/h3-7,14,19H,8-10,16H2,1-2H3
InChIKeyWHGSGEVEYGMCOH-UHFFFAOYSA-N
XLogP1.40
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-(3,5-dimethylpyrazol-1-yl)-3-[3-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 1203734
(2R)-1-(3,5-dimethylpyrazol-1-yl)-3-[4-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 1099341
1-(3,5-dimethylpyrazol-1-yl)-3-(4-phenylphenoxy)propan-2-ol
CID 15943427
1-[3-(aminomethyl)phenoxy]-3-(4-methylphenoxy)propan-2-ol
CID 43531526
(2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol
CID 1094986
1-[3-(aminomethyl)phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 43253326
1-[3-(aminomethyl)phenoxy]-3-(3-methylpyrrolidin-1-yl)propan-2-ol
CID 61221833
1-(3,5-dimethylpyrazol-1-yl)-3-propan-2-yloxypropan-2-ol
CID 63988452
(2R)-1-(3,5-dimethylpyrazol-1-yl)-3-(2,4,6-trichlorophenoxy)propan-2-ol
CID 807758
1-[3-(aminomethyl)phenoxy]-3-butoxypropan-2-ol
CID 43531638
1-[3-(aminomethyl)phenoxy]-3-(3-ethylmorpholin-4-yl)propan-2-ol
CID 43611818
1-(3,5-dimethylpyrazol-1-yl)-N-[[3-(2-methylprop-2-enoxy)phenyl]methyl]propan-2-amine
CID 50958138

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)phenoxy]-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol?
The IUPAC name of 1-[3-(aminomethyl)phenoxy]-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol (CID 43531447) is 1-[3-(aminomethyl)phenoxy]-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-[3-(aminomethyl)phenoxy]-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol?
The canonical SMILES for 1-[3-(aminomethyl)phenoxy]-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol is Cc1cc(C)n(CC(O)COc2cccc(CN)c2)n1.
What is the InChIKey of 1-[3-(aminomethyl)phenoxy]-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol?
The InChIKey is WHGSGEVEYGMCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-11-6-12(2)18(17-11)9-14(19)10-20-15-5-3-4-13(7-15)8-16/h3-7,14,19H,8-10,16H2,1-2H3.
What are the key properties of 1-[3-(aminomethyl)phenoxy]-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol?
1-[3-(aminomethyl)phenoxy]-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol has a molecular weight of 275.35 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)phenoxy]-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol is sourced from PubChem (CID 43531447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).