2,3-dimethyl-1-[(1-methylpyrazol-4-yl)methylamino]butan-2-ol

C11H21N3O — CID 111118581

IUPAC2,3-dimethyl-1-[(1-methylpyrazol-4-yl)methylamino]butan-2-ol
SMILESCC(C)C(C)(O)CNCc1cnn(C)c1
InChIInChI=1S/C11H21N3O/c1-9(2)11(3,15)8-12-5-10-6-13-14(4)7-10/h6-7,9,12,15H,5,8H2,1-4H3
InChIKeyAVEGIGHTOWLZFD-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.92
Rot. Bonds5

About 2,3-dimethyl-1-[(1-methylpyrazol-4-yl)methylamino]butan-2-ol

2,3-dimethyl-1-[(1-methylpyrazol-4-yl)methylamino]butan-2-ol (PubChem CID 111118581) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2,3-dimethyl-1-[(1-methylpyrazol-4-yl)methylamino]butan-2-ol.

Molecular Properties

Compound Name2,3-dimethyl-1-[(1-methylpyrazol-4-yl)methylamino]butan-2-ol
PubChem CID111118581
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2,3-dimethyl-1-[(1-methylpyrazol-4-yl)methylamino]butan-2-ol
SMILESCC(C)C(C)(O)CNCc1cnn(C)c1
InChIInChI=1S/C11H21N3O/c1-9(2)11(3,15)8-12-5-10-6-13-14(4)7-10/h6-7,9,12,15H,5,8H2,1-4H3
InChIKeyAVEGIGHTOWLZFD-UHFFFAOYSA-N
XLogP0.92
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 ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol
CID 61349842
2,5-dimethyl-1-[(1-methylpyrazol-4-yl)methylamino]hexan-2-ol
CID 111449388
2,2-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]propan-1-ol
CID 81411652
2,3-dimethyl-1-[(1-methylpyrazol-4-yl)amino]butan-2-ol
CID 114493356
1-(2-hydroxy-2,3-dimethylbutyl)-3-[3-(1-methylpyrazol-4-yl)propyl]urea
CID 111121182
2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfonylpropan-1-amine
CID 79551486
1-[(1,3-dimethylpyrazol-4-yl)methylamino]-2,3-dimethylbutan-2-ol
CID 109481950
2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-phenylpropan-1-amine
CID 54886659
2-methyl-1-[(1-propan-2-ylpyrazol-4-yl)methylamino]propan-2-ol
CID 115623040
2-methyl-3-[(1-methylpyrazol-4-yl)methylamino]propanoic acid
CID 61350630
4-methoxy-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pentan-2-amine
CID 61350220
4-[[(2-hydroxy-2,3-dimethylbutyl)amino]methyl]phenol
CID 115978599

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-[(1-methylpyrazol-4-yl)methylamino]butan-2-ol?
The IUPAC name of 2,3-dimethyl-1-[(1-methylpyrazol-4-yl)methylamino]butan-2-ol (CID 111118581) is 2,3-dimethyl-1-[(1-methylpyrazol-4-yl)methylamino]butan-2-ol.
What is the SMILES notation for 2,3-dimethyl-1-[(1-methylpyrazol-4-yl)methylamino]butan-2-ol?
The canonical SMILES for 2,3-dimethyl-1-[(1-methylpyrazol-4-yl)methylamino]butan-2-ol is CC(C)C(C)(O)CNCc1cnn(C)c1.
What is the InChIKey of 2,3-dimethyl-1-[(1-methylpyrazol-4-yl)methylamino]butan-2-ol?
The InChIKey is AVEGIGHTOWLZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-9(2)11(3,15)8-12-5-10-6-13-14(4)7-10/h6-7,9,12,15H,5,8H2,1-4H3.
What are the key properties of 2,3-dimethyl-1-[(1-methylpyrazol-4-yl)methylamino]butan-2-ol?
2,3-dimethyl-1-[(1-methylpyrazol-4-yl)methylamino]butan-2-ol has a molecular weight of 211.31 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-[(1-methylpyrazol-4-yl)methylamino]butan-2-ol is sourced from PubChem (CID 111118581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).