3-ethyl-1-[2-(2-methylpyrazol-3-yl)ethylamino]pentan-2-ol

C13H25N3O — CID 114168416

IUPAC3-ethyl-1-[2-(2-methylpyrazol-3-yl)ethylamino]pentan-2-ol
SMILESCCC(CC)C(O)CNCCc1ccnn1C
InChIInChI=1S/C13H25N3O/c1-4-11(5-2)13(17)10-14-8-6-12-7-9-15-16(12)3/h7,9,11,13-14,17H,4-6,8,10H2,1-3H3
InChIKeyJTVOWFSCFMRQJU-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.35
Rot. Bonds8

About 3-ethyl-1-[2-(2-methylpyrazol-3-yl)ethylamino]pentan-2-ol

3-ethyl-1-[2-(2-methylpyrazol-3-yl)ethylamino]pentan-2-ol (PubChem CID 114168416) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 3-ethyl-1-[2-(2-methylpyrazol-3-yl)ethylamino]pentan-2-ol.

Molecular Properties

Compound Name3-ethyl-1-[2-(2-methylpyrazol-3-yl)ethylamino]pentan-2-ol
PubChem CID114168416
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name3-ethyl-1-[2-(2-methylpyrazol-3-yl)ethylamino]pentan-2-ol
SMILESCCC(CC)C(O)CNCCc1ccnn1C
InChIInChI=1S/C13H25N3O/c1-4-11(5-2)13(17)10-14-8-6-12-7-9-15-16(12)3/h7,9,11,13-14,17H,4-6,8,10H2,1-3H3
InChIKeyJTVOWFSCFMRQJU-UHFFFAOYSA-N
XLogP1.35
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.35
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

1-(2-methylpyrazol-3-yl)hexane-3,4-diol
CID 103454643
2-ethyl-4-(2-methylpyrazol-3-yl)-N-propylbutan-1-amine
CID 103014342
3-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]pentan-3-ol
CID 103001512
1-(2-methylpyrazol-3-yl)pentan-3-ol
CID 64516316
4-[2-(2-methylpyrazol-3-yl)ethylamino]butan-1-ol
CID 103005787
2-[2-(2-methylpyrazol-3-yl)ethylamino]-N-propan-2-ylacetamide
CID 103000916
2-[2-(2-methylpyrazol-3-yl)ethylamino]-1-(4-nitrophenyl)ethanol
CID 103005955
3-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-phenylbutan-1-amine
CID 107876456
2-(2-methylpyrazol-3-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 103002048
6-[2-(2-methylpyrazol-3-yl)ethylamino]hexan-1-ol
CID 107703692
2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pentan-3-amine
CID 104694997
1-(2-methylphenoxy)-3-[2-(2-methylpyrazol-3-yl)ethylamino]propan-2-ol
CID 103006161

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[2-(2-methylpyrazol-3-yl)ethylamino]pentan-2-ol?
The IUPAC name of 3-ethyl-1-[2-(2-methylpyrazol-3-yl)ethylamino]pentan-2-ol (CID 114168416) is 3-ethyl-1-[2-(2-methylpyrazol-3-yl)ethylamino]pentan-2-ol.
What is the SMILES notation for 3-ethyl-1-[2-(2-methylpyrazol-3-yl)ethylamino]pentan-2-ol?
The canonical SMILES for 3-ethyl-1-[2-(2-methylpyrazol-3-yl)ethylamino]pentan-2-ol is CCC(CC)C(O)CNCCc1ccnn1C.
What is the InChIKey of 3-ethyl-1-[2-(2-methylpyrazol-3-yl)ethylamino]pentan-2-ol?
The InChIKey is JTVOWFSCFMRQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-4-11(5-2)13(17)10-14-8-6-12-7-9-15-16(12)3/h7,9,11,13-14,17H,4-6,8,10H2,1-3H3.
What are the key properties of 3-ethyl-1-[2-(2-methylpyrazol-3-yl)ethylamino]pentan-2-ol?
3-ethyl-1-[2-(2-methylpyrazol-3-yl)ethylamino]pentan-2-ol has a molecular weight of 239.36 g/mol, XLogP of 1.35, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[2-(2-methylpyrazol-3-yl)ethylamino]pentan-2-ol is sourced from PubChem (CID 114168416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).