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

C11H21N3O — CID 106841146

IUPAC4-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]butan-1-ol
SMILESCc1nn(C)cc1C(C)NCCCCO
InChIInChI=1S/C11H21N3O/c1-9(12-6-4-5-7-15)11-8-14(3)13-10(11)2/h8-9,12,15H,4-7H2,1-3H3
InChIKeyKOXBAEBKBWXVLS-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.15
Rot. Bonds6

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

4-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]butan-1-ol (PubChem CID 106841146) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 4-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]butan-1-ol.

Molecular Properties

Compound Name4-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]butan-1-ol
PubChem CID106841146
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name4-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]butan-1-ol
SMILESCc1nn(C)cc1C(C)NCCCCO
InChIInChI=1S/C11H21N3O/c1-9(12-6-4-5-7-15)11-8-14(3)13-10(11)2/h8-9,12,15H,4-7H2,1-3H3
InChIKeyKOXBAEBKBWXVLS-UHFFFAOYSA-N
XLogP1.15
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 ≤ 51.15
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

N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-propan-2-yloxypropan-1-amine
CID 65191903
3-cyclopropyl-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 115890681
(2R)-1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]propan-2-ol
CID 103906693
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-propoxypropan-1-amine
CID 82941029
1-(1,3-dimethylpyrazol-4-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 104577605
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
N-(2-butoxyethyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 65197276
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,2,2-trifluoroethanamine
CID 65192198
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methylsulfanylpropan-1-amine
CID 115895432
3-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-1,1,1-trifluoropropan-2-ol
CID 103778668
1-(1,3-dimethylpyrazol-4-yl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 65197319

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]butan-1-ol?
The IUPAC name of 4-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]butan-1-ol (CID 106841146) is 4-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]butan-1-ol.
What is the SMILES notation for 4-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]butan-1-ol?
The canonical SMILES for 4-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]butan-1-ol is Cc1nn(C)cc1C(C)NCCCCO.
What is the InChIKey of 4-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]butan-1-ol?
The InChIKey is KOXBAEBKBWXVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-9(12-6-4-5-7-15)11-8-14(3)13-10(11)2/h8-9,12,15H,4-7H2,1-3H3.
What are the key properties of 4-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]butan-1-ol?
4-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]butan-1-ol has a molecular weight of 211.31 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]butan-1-ol is sourced from PubChem (CID 106841146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).