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

C11H21N3O — CID 81338161

IUPAC3-[1-(1-ethylpyrazol-4-yl)ethylamino]butan-1-ol
SMILESCCn1cc(C(C)NC(C)CCO)cn1
InChIInChI=1S/C11H21N3O/c1-4-14-8-11(7-12-14)10(3)13-9(2)5-6-15/h7-10,13,15H,4-6H2,1-3H3
InChIKeyZUDUISGTQRXGSR-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.32
Rot. Bonds6

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

3-[1-(1-ethylpyrazol-4-yl)ethylamino]butan-1-ol (PubChem CID 81338161) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 3-[1-(1-ethylpyrazol-4-yl)ethylamino]butan-1-ol.

Molecular Properties

Compound Name3-[1-(1-ethylpyrazol-4-yl)ethylamino]butan-1-ol
PubChem CID81338161
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name3-[1-(1-ethylpyrazol-4-yl)ethylamino]butan-1-ol
SMILESCCn1cc(C(C)NC(C)CCO)cn1
InChIInChI=1S/C11H21N3O/c1-4-14-8-11(7-12-14)10(3)13-9(2)5-6-15/h7-10,13,15H,4-6H2,1-3H3
InChIKeyZUDUISGTQRXGSR-UHFFFAOYSA-N
XLogP1.32
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 ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1-ethylpyrazol-4-yl)ethyl]-1-phenylpropan-2-amine
CID 63012963
4-amino-3-(1-ethylpyrazol-4-yl)pentan-1-ol
CID 103570897
3-[(1-ethylpyrazol-4-yl)methylamino]butan-1-ol
CID 78998031
(2R)-2-[1-(1-ethylpyrazol-4-yl)ethylamino]-2-phenylethanol
CID 103788757
N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]pentan-2-amine
CID 115704138
(1R)-N-[1-(1-ethylpyrazol-4-yl)ethyl]-1-pyridin-3-ylethanamine
CID 81404494
(1S)-N-[1-(1-ethylpyrazol-4-yl)ethyl]-1-(3-methylphenyl)ethanamine
CID 81360333
1-(1-ethylpyrazol-4-yl)propane-1,2-diol
CID 103452757
4-methoxy-3-[1-(1-methylpyrazol-4-yl)ethylamino]butan-1-ol
CID 115722605
N-[1-(1-ethylpyrazol-4-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 115712805
1-[1-(1-ethylpyrazol-4-yl)ethylamino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 113261870
2-amino-1-(1-ethylpyrazol-4-yl)ethanol
CID 55264385

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-ethylpyrazol-4-yl)ethylamino]butan-1-ol?
The IUPAC name of 3-[1-(1-ethylpyrazol-4-yl)ethylamino]butan-1-ol (CID 81338161) is 3-[1-(1-ethylpyrazol-4-yl)ethylamino]butan-1-ol.
What is the SMILES notation for 3-[1-(1-ethylpyrazol-4-yl)ethylamino]butan-1-ol?
The canonical SMILES for 3-[1-(1-ethylpyrazol-4-yl)ethylamino]butan-1-ol is CCn1cc(C(C)NC(C)CCO)cn1.
What is the InChIKey of 3-[1-(1-ethylpyrazol-4-yl)ethylamino]butan-1-ol?
The InChIKey is ZUDUISGTQRXGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-4-14-8-11(7-12-14)10(3)13-9(2)5-6-15/h7-10,13,15H,4-6H2,1-3H3.
What are the key properties of 3-[1-(1-ethylpyrazol-4-yl)ethylamino]butan-1-ol?
3-[1-(1-ethylpyrazol-4-yl)ethylamino]butan-1-ol has a molecular weight of 211.31 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-ethylpyrazol-4-yl)ethylamino]butan-1-ol is sourced from PubChem (CID 81338161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).