2-[(1-ethylpyrazol-4-yl)methyl-pentan-3-ylamino]ethanol

C13H25N3O — CID 62128242

IUPAC2-[(1-ethylpyrazol-4-yl)methyl-pentan-3-ylamino]ethanol
SMILESCCC(CC)N(CCO)Cc1cnn(CC)c1
InChIInChI=1S/C13H25N3O/c1-4-13(5-2)15(7-8-17)10-12-9-14-16(6-3)11-12/h9,11,13,17H,4-8,10H2,1-3H3
InChIKeyUUNFGXLDSWTWIT-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.89
Rot. Bonds8

About 2-[(1-ethylpyrazol-4-yl)methyl-pentan-3-ylamino]ethanol

2-[(1-ethylpyrazol-4-yl)methyl-pentan-3-ylamino]ethanol (PubChem CID 62128242) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-[(1-ethylpyrazol-4-yl)methyl-pentan-3-ylamino]ethanol.

Molecular Properties

Compound Name2-[(1-ethylpyrazol-4-yl)methyl-pentan-3-ylamino]ethanol
PubChem CID62128242
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-[(1-ethylpyrazol-4-yl)methyl-pentan-3-ylamino]ethanol
SMILESCCC(CC)N(CCO)Cc1cnn(CC)c1
InChIInChI=1S/C13H25N3O/c1-4-13(5-2)15(7-8-17)10-12-9-14-16(6-3)11-12/h9,11,13,17H,4-8,10H2,1-3H3
InChIKeyUUNFGXLDSWTWIT-UHFFFAOYSA-N
XLogP1.89
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-ethylpyrazol-4-yl)methyl-(2-hydroxyethyl)amino]ethanol
CID 62128238
2-[(1-ethylpyrazol-4-yl)methyl-[(2-methylphenyl)methyl]amino]butan-1-ol
CID 46988388
2-[cyclopropyl-[(1-ethylpyrazol-4-yl)methyl]amino]ethanol
CID 62128079
1,4-diethylpyrazole;ethane
CID 143641951
2-[(1-ethylimidazol-2-yl)methyl-pentan-3-ylamino]ethanol
CID 62735874
2-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-propan-2-ylacetamide
CID 166408899
2-[(1-ethylpyrazol-4-yl)methyl-(piperidin-4-ylmethyl)amino]ethanol
CID 120858173
2-amino-3-(1-ethylpyrazol-4-yl)propan-1-ol
CID 64571799
N-ethyl-1-(1-ethylpyrazol-4-yl)pentan-3-amine
CID 62126755
2-[(2-methyl-1,3-thiazol-5-yl)methyl-pentan-3-ylamino]ethanol
CID 63021364
ethyl 3-[(1-ethylpyrazol-4-yl)methyl-methylamino]propanoate
CID 55040533
2-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylacetamide
CID 19619348

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrazol-4-yl)methyl-pentan-3-ylamino]ethanol?
The IUPAC name of 2-[(1-ethylpyrazol-4-yl)methyl-pentan-3-ylamino]ethanol (CID 62128242) is 2-[(1-ethylpyrazol-4-yl)methyl-pentan-3-ylamino]ethanol.
What is the SMILES notation for 2-[(1-ethylpyrazol-4-yl)methyl-pentan-3-ylamino]ethanol?
The canonical SMILES for 2-[(1-ethylpyrazol-4-yl)methyl-pentan-3-ylamino]ethanol is CCC(CC)N(CCO)Cc1cnn(CC)c1.
What is the InChIKey of 2-[(1-ethylpyrazol-4-yl)methyl-pentan-3-ylamino]ethanol?
The InChIKey is UUNFGXLDSWTWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-4-13(5-2)15(7-8-17)10-12-9-14-16(6-3)11-12/h9,11,13,17H,4-8,10H2,1-3H3.
What are the key properties of 2-[(1-ethylpyrazol-4-yl)methyl-pentan-3-ylamino]ethanol?
2-[(1-ethylpyrazol-4-yl)methyl-pentan-3-ylamino]ethanol has a molecular weight of 239.36 g/mol, XLogP of 1.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrazol-4-yl)methyl-pentan-3-ylamino]ethanol is sourced from PubChem (CID 62128242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).