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

C11H21N3O — CID 103002168

IUPAC3-methyl-1-[2-(1-methylpyrazol-4-yl)ethylamino]butan-2-ol
SMILESCC(C)C(O)CNCCc1cnn(C)c1
InChIInChI=1S/C11H21N3O/c1-9(2)11(15)7-12-5-4-10-6-13-14(3)8-10/h6,8-9,11-12,15H,4-5,7H2,1-3H3
InChIKeyZYKXUKZJXOCYBM-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.57
Rot. Bonds6

About 3-methyl-1-[2-(1-methylpyrazol-4-yl)ethylamino]butan-2-ol

3-methyl-1-[2-(1-methylpyrazol-4-yl)ethylamino]butan-2-ol (PubChem CID 103002168) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 3-methyl-1-[2-(1-methylpyrazol-4-yl)ethylamino]butan-2-ol.

Molecular Properties

Compound Name3-methyl-1-[2-(1-methylpyrazol-4-yl)ethylamino]butan-2-ol
PubChem CID103002168
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name3-methyl-1-[2-(1-methylpyrazol-4-yl)ethylamino]butan-2-ol
SMILESCC(C)C(O)CNCCc1cnn(C)c1
InChIInChI=1S/C11H21N3O/c1-9(2)11(15)7-12-5-4-10-6-13-14(3)8-10/h6,8-9,11-12,15H,4-5,7H2,1-3H3
InChIKeyZYKXUKZJXOCYBM-UHFFFAOYSA-N
XLogP0.57
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(1-methylpyrazol-4-yl)ethylamino]butan-2-ol
CID 80689060
2,2-dicyclopropyl-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 103001567
4-[2-(1-methylpyrazol-4-yl)ethylamino]pentan-2-ol
CID 103001980
2-[2-(1-methylpyrazol-4-yl)ethylamino]propan-1-ol
CID 103000884
3-methyl-2-[2-(1-methylpyrazol-4-yl)ethylamino]butanoic acid
CID 103004675
1-hexoxy-3-[2-(1-methylpyrazol-4-yl)ethylamino]propan-2-ol
CID 80688585
1-(4-bromophenoxy)-3-[2-(1-methylpyrazol-4-yl)ethylamino]propan-2-ol
CID 80683818
N-[2-(1-methylpyrazol-4-yl)ethyl]-2-pyridin-4-ylethanamine
CID 80688590
1-(3-methoxyphenyl)-2-[2-(1-methylpyrazol-4-yl)ethylamino]ethanol
CID 81134031
N-methyl-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 62125869
N-[(3-chlorocyclobutyl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine
CID 103015220
N'-hydroxy-2-[2-(1-methylpyrazol-4-yl)ethylamino]ethanimidamide
CID 80683125

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-(1-methylpyrazol-4-yl)ethylamino]butan-2-ol?
The IUPAC name of 3-methyl-1-[2-(1-methylpyrazol-4-yl)ethylamino]butan-2-ol (CID 103002168) is 3-methyl-1-[2-(1-methylpyrazol-4-yl)ethylamino]butan-2-ol.
What is the SMILES notation for 3-methyl-1-[2-(1-methylpyrazol-4-yl)ethylamino]butan-2-ol?
The canonical SMILES for 3-methyl-1-[2-(1-methylpyrazol-4-yl)ethylamino]butan-2-ol is CC(C)C(O)CNCCc1cnn(C)c1.
What is the InChIKey of 3-methyl-1-[2-(1-methylpyrazol-4-yl)ethylamino]butan-2-ol?
The InChIKey is ZYKXUKZJXOCYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-9(2)11(15)7-12-5-4-10-6-13-14(3)8-10/h6,8-9,11-12,15H,4-5,7H2,1-3H3.
What are the key properties of 3-methyl-1-[2-(1-methylpyrazol-4-yl)ethylamino]butan-2-ol?
3-methyl-1-[2-(1-methylpyrazol-4-yl)ethylamino]butan-2-ol has a molecular weight of 211.31 g/mol, XLogP of 0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-(1-methylpyrazol-4-yl)ethylamino]butan-2-ol is sourced from PubChem (CID 103002168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).