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

C11H21N3O — CID 103001980

IUPAC4-[2-(1-methylpyrazol-4-yl)ethylamino]pentan-2-ol
SMILESCC(O)CC(C)NCCc1cnn(C)c1
InChIInChI=1S/C11H21N3O/c1-9(6-10(2)15)12-5-4-11-7-13-14(3)8-11/h7-10,12,15H,4-6H2,1-3H3
InChIKeyMJGXKJUGCADGQA-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.71
Rot. Bonds6

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

4-[2-(1-methylpyrazol-4-yl)ethylamino]pentan-2-ol (PubChem CID 103001980) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 4-[2-(1-methylpyrazol-4-yl)ethylamino]pentan-2-ol.

Molecular Properties

Compound Name4-[2-(1-methylpyrazol-4-yl)ethylamino]pentan-2-ol
PubChem CID103001980
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name4-[2-(1-methylpyrazol-4-yl)ethylamino]pentan-2-ol
SMILESCC(O)CC(C)NCCc1cnn(C)c1
InChIInChI=1S/C11H21N3O/c1-9(6-10(2)15)12-5-4-11-7-13-14(3)8-11/h7-10,12,15H,4-6H2,1-3H3
InChIKeyMJGXKJUGCADGQA-UHFFFAOYSA-N
XLogP0.71
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 ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pentan-2-amine
CID 103015314
2-[2-(1-methylpyrazol-4-yl)ethylamino]propan-1-ol
CID 103000884
3-[2-(1-methylpyrazol-4-yl)ethylamino]butan-2-ol
CID 80689060
4-[2-(1-methylpyrazol-4-yl)ethylamino]pentan-1-ol
CID 103947686
4,4,4-trifluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]butan-2-amine
CID 115710852
3-methyl-2-[2-(1-methylpyrazol-4-yl)ethylamino]butanoic acid
CID 103004675
(2S)-N-[2-(1-methylpyrazol-4-yl)ethyl]-4-pyrazol-1-ylbutan-2-amine
CID 124594412
3-methyl-1-[2-(1-methylpyrazol-4-yl)ethylamino]butan-2-ol
CID 103002168
N,N-dimethyl-2-[2-(1-methylpyrazol-4-yl)ethylamino]propanamide
CID 80688817
5-(1-methylpyrazol-4-yl)-N-propylpentan-2-amine
CID 64504956
N-[2-(1-methylpyrazol-4-yl)ethyl]-1-thiophen-2-ylpropan-2-amine
CID 103778177
1-(4-iodophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 80682809

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-methylpyrazol-4-yl)ethylamino]pentan-2-ol?
The IUPAC name of 4-[2-(1-methylpyrazol-4-yl)ethylamino]pentan-2-ol (CID 103001980) is 4-[2-(1-methylpyrazol-4-yl)ethylamino]pentan-2-ol.
What is the SMILES notation for 4-[2-(1-methylpyrazol-4-yl)ethylamino]pentan-2-ol?
The canonical SMILES for 4-[2-(1-methylpyrazol-4-yl)ethylamino]pentan-2-ol is CC(O)CC(C)NCCc1cnn(C)c1.
What is the InChIKey of 4-[2-(1-methylpyrazol-4-yl)ethylamino]pentan-2-ol?
The InChIKey is MJGXKJUGCADGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-9(6-10(2)15)12-5-4-11-7-13-14(3)8-11/h7-10,12,15H,4-6H2,1-3H3.
What are the key properties of 4-[2-(1-methylpyrazol-4-yl)ethylamino]pentan-2-ol?
4-[2-(1-methylpyrazol-4-yl)ethylamino]pentan-2-ol has a molecular weight of 211.31 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-methylpyrazol-4-yl)ethylamino]pentan-2-ol is sourced from PubChem (CID 103001980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).