1-(4-methylphenoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol

C14H19N3O2 — CID 79779688

IUPAC1-(4-methylphenoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol
SMILESCc1ccc(OCC(O)CNc2ccn(C)n2)cc1
InChIInChI=1S/C14H19N3O2/c1-11-3-5-13(6-4-11)19-10-12(18)9-15-14-7-8-17(2)16-14/h3-8,12,18H,9-10H2,1-2H3,(H,15,16)
InChIKeyGFMLLRNVQDGSKV-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.58
Rot. Bonds6

About 1-(4-methylphenoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol

1-(4-methylphenoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol (PubChem CID 79779688) has the molecular formula C14H19N3O2 and a molecular weight of 261.33 g/mol. Its IUPAC name is 1-(4-methylphenoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(4-methylphenoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol
PubChem CID79779688
Molecular FormulaC14H19N3O2
Molecular Weight261.33 g/mol
Exact Mass261.15
IUPAC Name1-(4-methylphenoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol
SMILESCc1ccc(OCC(O)CNc2ccn(C)n2)cc1
InChIInChI=1S/C14H19N3O2/c1-11-3-5-13(6-4-11)19-10-12(18)9-15-14-7-8-17(2)16-14/h3-8,12,18H,9-10H2,1-2H3,(H,15,16)
InChIKeyGFMLLRNVQDGSKV-UHFFFAOYSA-N
XLogP1.58
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(4-methylphenoxy)-3-[(1-methylpyrazol-3-yl)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

4-[2-hydroxy-3-[(1-methylpyrazol-3-yl)amino]propoxy]benzonitrile
CID 79778561
1-(2,4-dimethylphenoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol
CID 79778480
1-[(2-methylpropan-2-yl)oxy]-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol
CID 79778676
1-(2,6-dichlorophenoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol
CID 79779274
1-(2-methoxyethoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol
CID 106990156
1-(cyclopropylmethoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol
CID 79778854
(2R)-1-[(1-methylpyrazol-3-yl)amino]propan-2-ol
CID 106932300
1-(3,5-dimethylanilino)-3-(4-methylphenoxy)propan-2-ol
CID 60720370
1-(4-methoxyphenyl)-2-[(1-methylpyrazol-3-yl)amino]ethanol
CID 79778765
1-[(2-fluorophenyl)methoxy]-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol
CID 79778483
1-(4-methylphenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 16812220
1-(4-methylphenoxy)-3-[(4-methylpiperazin-1-yl)amino]propan-2-ol
CID 83021469

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol?
The IUPAC name of 1-(4-methylphenoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol (CID 79779688) is 1-(4-methylphenoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol.
What is the SMILES notation for 1-(4-methylphenoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol?
The canonical SMILES for 1-(4-methylphenoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol is Cc1ccc(OCC(O)CNc2ccn(C)n2)cc1.
What is the InChIKey of 1-(4-methylphenoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol?
The InChIKey is GFMLLRNVQDGSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-11-3-5-13(6-4-11)19-10-12(18)9-15-14-7-8-17(2)16-14/h3-8,12,18H,9-10H2,1-2H3,(H,15,16).
What are the key properties of 1-(4-methylphenoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol?
1-(4-methylphenoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol has a molecular weight of 261.33 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol is sourced from PubChem (CID 79779688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).