2,2-dimethyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]propan-1-ol

C11H20N2O2 — CID 103006541

IUPAC2,2-dimethyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]propan-1-ol
SMILESCn1nccc1CCOCC(C)(C)CO
InChIInChI=1S/C11H20N2O2/c1-11(2,8-14)9-15-7-5-10-4-6-12-13(10)3/h4,6,14H,5,7-9H2,1-3H3
InChIKeyLTLKSFKJSNXYLC-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.00
Rot. Bonds6

About 2,2-dimethyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]propan-1-ol

2,2-dimethyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]propan-1-ol (PubChem CID 103006541) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2,2-dimethyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]propan-1-ol
PubChem CID103006541
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2,2-dimethyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]propan-1-ol
SMILESCn1nccc1CCOCC(C)(C)CO
InChIInChI=1S/C11H20N2O2/c1-11(2,8-14)9-15-7-5-10-4-6-12-13(10)3/h4,6,14H,5,7-9H2,1-3H3
InChIKeyLTLKSFKJSNXYLC-UHFFFAOYSA-N
XLogP1.00
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,2-dimethyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]propan-1-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

N-[2-[2-(2-methylpyrazol-3-yl)ethoxy]ethyl]propan-1-amine
CID 103004060
2-(2-methylpyrazol-3-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 103001408
2-[2-[2-(2-methylpyrazol-3-yl)ethylamino]ethoxy]ethanol
CID 103001295
2-[(2-methylpyrazol-3-yl)methoxy]ethanol
CID 164538456
ethane;(2-methylpyrazol-3-yl)methanol
CID 144625468
2-(2-methylpyrazol-3-yl)ethyl methanesulfonate
CID 118545210
1-methoxy-2-methyl-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103007080
4,4-dimethyl-6-(2-methylpyrazol-3-yl)hexan-2-ol
CID 103016020
3-methyl-5-[2-(2-methylpyrazol-3-yl)ethoxy]phenol
CID 107680067
(2R)-2-[2-(2-methylpyrazol-3-yl)ethoxy]propanoic acid
CID 102999451
2-[2-(2-methylpyrazol-3-yl)ethylamino]-2-phenylpropan-1-ol
CID 103002275
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 103006076

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]propan-1-ol?
The IUPAC name of 2,2-dimethyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]propan-1-ol (CID 103006541) is 2,2-dimethyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]propan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]propan-1-ol is Cn1nccc1CCOCC(C)(C)CO.
What is the InChIKey of 2,2-dimethyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]propan-1-ol?
The InChIKey is LTLKSFKJSNXYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-11(2,8-14)9-15-7-5-10-4-6-12-13(10)3/h4,6,14H,5,7-9H2,1-3H3.
What are the key properties of 2,2-dimethyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]propan-1-ol?
2,2-dimethyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]propan-1-ol has a molecular weight of 212.29 g/mol, XLogP of 1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]propan-1-ol is sourced from PubChem (CID 103006541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).