1-(2,4-dimethylphenoxy)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-2-ol

C17H25N3O2 — CID 110882133

IUPAC1-(2,4-dimethylphenoxy)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-2-ol
SMILESCc1ccc(OCC(O)CN(C)Cc2cnn(C)c2)c(C)c1
InChIInChI=1S/C17H25N3O2/c1-13-5-6-17(14(2)7-13)22-12-16(21)11-19(3)9-15-8-18-20(4)10-15/h5-8,10,16,21H,9,11-12H2,1-4H3
InChIKeySAFRERYYLAMGBM-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.91
Rot. Bonds7

About 1-(2,4-dimethylphenoxy)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-2-ol

1-(2,4-dimethylphenoxy)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-2-ol (PubChem CID 110882133) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-(2,4-dimethylphenoxy)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-(2,4-dimethylphenoxy)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-2-ol
PubChem CID110882133
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name1-(2,4-dimethylphenoxy)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-2-ol
SMILESCc1ccc(OCC(O)CN(C)Cc2cnn(C)c2)c(C)c1
InChIInChI=1S/C17H25N3O2/c1-13-5-6-17(14(2)7-13)22-12-16(21)11-19(3)9-15-8-18-20(4)10-15/h5-8,10,16,21H,9,11-12H2,1-4H3
InChIKeySAFRERYYLAMGBM-UHFFFAOYSA-N
XLogP1.91
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2,4-dimethylphenoxy)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-2-ol 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-[benzyl(methyl)amino]-3-[2-methoxy-5-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]phenoxy]propan-2-ol
CID 45210391
(2S)-1-(2,4-dimethylphenoxy)-3-[[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]methyl-methylamino]propan-2-ol
CID 129457349
1-(2,4-dimethylphenoxy)-3-[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methyl-methylamino]propan-2-ol
CID 155992119
(2S)-1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenoxy]propan-2-ol
CID 26402885
1-[3-[4-[[[(2R)-3-(2,4-dimethylphenoxy)-2-hydroxypropyl]-methylamino]methyl]phenoxy]propyl]pyrrolidin-2-one
CID 129454854
1-(2,4-dimethylphenoxy)-3-[2-hydroxypropyl(propan-2-yl)amino]propan-2-ol
CID 111107864
1-[(2,4-dimethylphenoxy)methyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 19278731
1-N-methyl-1-N-[(1-methylpyrazol-4-yl)methyl]propane-1,2-diamine
CID 61438748
1-[benzyl(methyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 117067141
1-(2,4-dimethylphenoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride
CID 2770308
2-(2,5-dimethylphenoxy)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 134037059
1-bromo-3-(2,4-dimethylphenoxy)propan-2-ol
CID 112560473

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenoxy)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-2-ol?
The IUPAC name of 1-(2,4-dimethylphenoxy)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-2-ol (CID 110882133) is 1-(2,4-dimethylphenoxy)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-2-ol.
What is the SMILES notation for 1-(2,4-dimethylphenoxy)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-2-ol?
The canonical SMILES for 1-(2,4-dimethylphenoxy)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-2-ol is Cc1ccc(OCC(O)CN(C)Cc2cnn(C)c2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenoxy)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-2-ol?
The InChIKey is SAFRERYYLAMGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-13-5-6-17(14(2)7-13)22-12-16(21)11-19(3)9-15-8-18-20(4)10-15/h5-8,10,16,21H,9,11-12H2,1-4H3.
What are the key properties of 1-(2,4-dimethylphenoxy)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-2-ol?
1-(2,4-dimethylphenoxy)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-2-ol has a molecular weight of 303.41 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenoxy)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-2-ol is sourced from PubChem (CID 110882133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).