2-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]butan-1-ol

C11H21N3O — CID 65191852

IUPAC2-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]butan-1-ol
SMILESCCC(CO)NC(C)c1cn(C)nc1C
InChIInChI=1S/C11H21N3O/c1-5-10(7-15)12-8(2)11-6-14(4)13-9(11)3/h6,8,10,12,15H,5,7H2,1-4H3
InChIKeyJQUXSJPCELTVAE-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.15
Rot. Bonds5

About 2-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]butan-1-ol

2-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]butan-1-ol (PubChem CID 65191852) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]butan-1-ol.

Molecular Properties

Compound Name2-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]butan-1-ol
PubChem CID65191852
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]butan-1-ol
SMILESCCC(CO)NC(C)c1cn(C)nc1C
InChIInChI=1S/C11H21N3O/c1-5-10(7-15)12-8(2)11-6-14(4)13-9(11)3/h6,8,10,12,15H,5,7H2,1-4H3
InChIKeyJQUXSJPCELTVAE-UHFFFAOYSA-N
XLogP1.15
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 ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylpentan-2-amine
CID 65191908
2-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-N-ethylpropanamide
CID 65192271
4-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]butan-1-ol
CID 106841146
(2R)-1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]propan-2-ol
CID 103906693
1-(1,3-dimethylpyrazol-4-yl)ethylhydrazine
CID 65196946
1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-propylthiourea
CID 19469249
(1S)-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-phenylethanamine
CID 81351580
N-(dicyclopropylmethyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 65191955
2-amino-2-(1,3-dimethylpyrazol-4-yl)ethanol
CID 83091814
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methylprop-2-en-1-amine
CID 115903248
1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-2-methylpropan-2-ol
CID 65197340
1-(1,3-dimethylpyrazol-4-yl)-N-methoxyethanamine
CID 82706207

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]butan-1-ol?
The IUPAC name of 2-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]butan-1-ol (CID 65191852) is 2-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]butan-1-ol.
What is the SMILES notation for 2-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]butan-1-ol?
The canonical SMILES for 2-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]butan-1-ol is CCC(CO)NC(C)c1cn(C)nc1C.
What is the InChIKey of 2-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]butan-1-ol?
The InChIKey is JQUXSJPCELTVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-5-10(7-15)12-8(2)11-6-14(4)13-9(11)3/h6,8,10,12,15H,5,7H2,1-4H3.
What are the key properties of 2-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]butan-1-ol?
2-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]butan-1-ol has a molecular weight of 211.31 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]butan-1-ol is sourced from PubChem (CID 65191852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).