3-ethyl-1-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]pentan-2-ol

C16H31N3O — CID 103783078

IUPAC3-ethyl-1-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]pentan-2-ol
SMILESCCC(CC)C(O)CNC(C)c1c(C)nn(CC)c1C
InChIInChI=1S/C16H31N3O/c1-7-14(8-2)15(20)10-17-11(4)16-12(5)18-19(9-3)13(16)6/h11,14-15,17,20H,7-10H2,1-6H3
InChIKeyPEUVKKKCPFVWDH-UHFFFAOYSA-N
MW281.44 g/mol
LogP2.97
Rot. Bonds8

About 3-ethyl-1-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]pentan-2-ol

3-ethyl-1-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]pentan-2-ol (PubChem CID 103783078) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 3-ethyl-1-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]pentan-2-ol.

Molecular Properties

Compound Name3-ethyl-1-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]pentan-2-ol
PubChem CID103783078
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name3-ethyl-1-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]pentan-2-ol
SMILESCCC(CC)C(O)CNC(C)c1c(C)nn(CC)c1C
InChIInChI=1S/C16H31N3O/c1-7-14(8-2)15(20)10-17-11(4)16-12(5)18-19(9-3)13(16)6/h11,14-15,17,20H,7-10H2,1-6H3
InChIKeyPEUVKKKCPFVWDH-UHFFFAOYSA-N
XLogP2.97
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-ethyl-1-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]pentan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethyl-1-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pentan-2-ol
CID 103783108
N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 115712818
1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(1-methylcyclobutyl)methyl]ethanamine
CID 113348764
3-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]-2,2-dimethylpropan-1-ol
CID 113293722
1-[[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]methyl]cycloheptan-1-ol
CID 65123003
N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-methylsulfanylpropan-1-amine
CID 63980803
1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-ethylpentan-2-ol
CID 113261392
N-[(1-ethylcyclobutyl)methyl]-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanamine
CID 103788328
[4-[[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]methyl]phenyl]methanol
CID 107230009
3-[2-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]ethylsulfanyl]propan-1-ol
CID 103781997
N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104584971
3-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]-2-methylbutan-1-ol
CID 115722851

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]pentan-2-ol?
The IUPAC name of 3-ethyl-1-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]pentan-2-ol (CID 103783078) is 3-ethyl-1-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]pentan-2-ol.
What is the SMILES notation for 3-ethyl-1-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]pentan-2-ol?
The canonical SMILES for 3-ethyl-1-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]pentan-2-ol is CCC(CC)C(O)CNC(C)c1c(C)nn(CC)c1C.
What is the InChIKey of 3-ethyl-1-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]pentan-2-ol?
The InChIKey is PEUVKKKCPFVWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-7-14(8-2)15(20)10-17-11(4)16-12(5)18-19(9-3)13(16)6/h11,14-15,17,20H,7-10H2,1-6H3.
What are the key properties of 3-ethyl-1-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]pentan-2-ol?
3-ethyl-1-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]pentan-2-ol has a molecular weight of 281.44 g/mol, XLogP of 2.97, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]pentan-2-ol is sourced from PubChem (CID 103783078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).