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

C11H21N3O — CID 65103027

IUPAC2-methyl-1-[1-(1-methylpyrazol-4-yl)ethylamino]butan-2-ol
SMILESCCC(C)(O)CNC(C)c1cnn(C)c1
InChIInChI=1S/C11H21N3O/c1-5-11(3,15)8-12-9(2)10-6-13-14(4)7-10/h6-7,9,12,15H,5,8H2,1-4H3
InChIKeyLECJWRWBEYCNKI-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.23
Rot. Bonds5

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

2-methyl-1-[1-(1-methylpyrazol-4-yl)ethylamino]butan-2-ol (PubChem CID 65103027) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-methyl-1-[1-(1-methylpyrazol-4-yl)ethylamino]butan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[1-(1-methylpyrazol-4-yl)ethylamino]butan-2-ol
PubChem CID65103027
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-methyl-1-[1-(1-methylpyrazol-4-yl)ethylamino]butan-2-ol
SMILESCCC(C)(O)CNC(C)c1cnn(C)c1
InChIInChI=1S/C11H21N3O/c1-5-11(3,15)8-12-9(2)10-6-13-14(4)7-10/h6-7,9,12,15H,5,8H2,1-4H3
InChIKeyLECJWRWBEYCNKI-UHFFFAOYSA-N
XLogP1.23
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[1-(1-methylpyrazol-4-yl)ethylamino]butan-2-ol?
The IUPAC name of 2-methyl-1-[1-(1-methylpyrazol-4-yl)ethylamino]butan-2-ol (CID 65103027) is 2-methyl-1-[1-(1-methylpyrazol-4-yl)ethylamino]butan-2-ol.
What is the SMILES notation for 2-methyl-1-[1-(1-methylpyrazol-4-yl)ethylamino]butan-2-ol?
The canonical SMILES for 2-methyl-1-[1-(1-methylpyrazol-4-yl)ethylamino]butan-2-ol is CCC(C)(O)CNC(C)c1cnn(C)c1.
What is the InChIKey of 2-methyl-1-[1-(1-methylpyrazol-4-yl)ethylamino]butan-2-ol?
The InChIKey is LECJWRWBEYCNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-5-11(3,15)8-12-9(2)10-6-13-14(4)7-10/h6-7,9,12,15H,5,8H2,1-4H3.
What are the key properties of 2-methyl-1-[1-(1-methylpyrazol-4-yl)ethylamino]butan-2-ol?
2-methyl-1-[1-(1-methylpyrazol-4-yl)ethylamino]butan-2-ol has a molecular weight of 211.31 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[1-(1-methylpyrazol-4-yl)ethylamino]butan-2-ol is sourced from PubChem (CID 65103027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).