4-methoxy-2-methyl-1-[2-(1-methylpyrazol-4-yl)ethylamino]butan-2-ol

C12H23N3O2 — CID 106255495

IUPAC4-methoxy-2-methyl-1-[2-(1-methylpyrazol-4-yl)ethylamino]butan-2-ol
SMILESCOCCC(C)(O)CNCCc1cnn(C)c1
InChIInChI=1S/C12H23N3O2/c1-12(16,5-7-17-3)10-13-6-4-11-8-14-15(2)9-11/h8-9,13,16H,4-7,10H2,1-3H3
InChIKeyPLMYGNDQKVJWBS-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.34
Rot. Bonds8

About 4-methoxy-2-methyl-1-[2-(1-methylpyrazol-4-yl)ethylamino]butan-2-ol

4-methoxy-2-methyl-1-[2-(1-methylpyrazol-4-yl)ethylamino]butan-2-ol (PubChem CID 106255495) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-methoxy-2-methyl-1-[2-(1-methylpyrazol-4-yl)ethylamino]butan-2-ol.

Molecular Properties

Compound Name4-methoxy-2-methyl-1-[2-(1-methylpyrazol-4-yl)ethylamino]butan-2-ol
PubChem CID106255495
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name4-methoxy-2-methyl-1-[2-(1-methylpyrazol-4-yl)ethylamino]butan-2-ol
SMILESCOCCC(C)(O)CNCCc1cnn(C)c1
InChIInChI=1S/C12H23N3O2/c1-12(16,5-7-17-3)10-13-6-4-11-8-14-15(2)9-11/h8-9,13,16H,4-7,10H2,1-3H3
InChIKeyPLMYGNDQKVJWBS-UHFFFAOYSA-N
XLogP0.34
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-methoxy-2-methyl-1-[2-(1-methylpyrazol-4-yl)ethylamino]butan-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-methoxy-2-methyl-1-(1-methylpyrazol-4-yl)butan-2-ol
CID 62127829
2,2-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]heptan-1-amine
CID 103001701
2-methyl-1-(2-methylpropylamino)-4-(1-methylpyrazol-4-yl)butan-2-ol
CID 103017836
N-(2-methoxyethyl)-2-[2-(1-methylpyrazol-4-yl)ethylamino]acetamide
CID 80689226
N-(2-methoxyethyl)-2-methyl-2-[(1-methylpyrazol-4-yl)methyl]butan-1-amine
CID 62719344
1-(2-methoxyethylamino)-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 66038024
2,5-dimethyl-1-[(1-methylpyrazol-4-yl)methylamino]hexan-2-ol
CID 111449388
2,2-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethylamino]butanenitrile
CID 80688978
1-methoxy-2-methyl-3-(1-methylpyrazol-4-yl)propan-2-ol
CID 62534696
1-amino-2-methyl-4-(1-methylpyrazol-4-yl)butan-2-ol
CID 103006669
2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]ethanamine;hydrochloride
CID 126966602
2,2-dimethyl-N-[4-(1-methylpyrazol-4-yl)butyl]propan-1-amine;hydrochloride
CID 115610520

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-1-[2-(1-methylpyrazol-4-yl)ethylamino]butan-2-ol?
The IUPAC name of 4-methoxy-2-methyl-1-[2-(1-methylpyrazol-4-yl)ethylamino]butan-2-ol (CID 106255495) is 4-methoxy-2-methyl-1-[2-(1-methylpyrazol-4-yl)ethylamino]butan-2-ol.
What is the SMILES notation for 4-methoxy-2-methyl-1-[2-(1-methylpyrazol-4-yl)ethylamino]butan-2-ol?
The canonical SMILES for 4-methoxy-2-methyl-1-[2-(1-methylpyrazol-4-yl)ethylamino]butan-2-ol is COCCC(C)(O)CNCCc1cnn(C)c1.
What is the InChIKey of 4-methoxy-2-methyl-1-[2-(1-methylpyrazol-4-yl)ethylamino]butan-2-ol?
The InChIKey is PLMYGNDQKVJWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-12(16,5-7-17-3)10-13-6-4-11-8-14-15(2)9-11/h8-9,13,16H,4-7,10H2,1-3H3.
What are the key properties of 4-methoxy-2-methyl-1-[2-(1-methylpyrazol-4-yl)ethylamino]butan-2-ol?
4-methoxy-2-methyl-1-[2-(1-methylpyrazol-4-yl)ethylamino]butan-2-ol has a molecular weight of 241.33 g/mol, XLogP of 0.34, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-1-[2-(1-methylpyrazol-4-yl)ethylamino]butan-2-ol is sourced from PubChem (CID 106255495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).