3-[ethyl-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]amino]propanoic acid

C11H19N3O3 — CID 65062810

IUPAC3-[ethyl-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)Cc1cnn(CCO)c1
InChIInChI=1S/C11H19N3O3/c1-2-13(4-3-11(16)17)8-10-7-12-14(9-10)5-6-15/h7,9,15H,2-6,8H2,1H3,(H,16,17)
InChIKeyHKUTXKYOCDKAPS-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.17
Rot. Bonds8

About 3-[ethyl-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]amino]propanoic acid

3-[ethyl-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]amino]propanoic acid (PubChem CID 65062810) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-[ethyl-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]amino]propanoic acid
PubChem CID65062810
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name3-[ethyl-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)Cc1cnn(CCO)c1
InChIInChI=1S/C11H19N3O3/c1-2-13(4-3-11(16)17)8-10-7-12-14(9-10)5-6-15/h7,9,15H,2-6,8H2,1H3,(H,16,17)
InChIKeyHKUTXKYOCDKAPS-UHFFFAOYSA-N
XLogP0.17
TPSA78.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(1-benzylpyrazol-4-yl)methyl-(2-hydroxyethyl)amino]propanoic acid
CID 119139161
2-[(1-ethylpyrazol-4-yl)methyl-(2-hydroxyethyl)amino]ethanol
CID 62128238
3-[tert-butyl-[(1-ethylpyrazol-4-yl)methyl]amino]propanoic acid
CID 62125700
3-[cyclopropyl-[(1-ethylpyrazol-4-yl)methyl]amino]propanoic acid
CID 55041385
2-[cyclopentyl-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]amino]acetic acid
CID 65058790
3-[(3,5-dimethylphenyl)methyl-ethylamino]propanoic acid
CID 54898747
3-(1-butylpyrazol-4-yl)propanoic acid
CID 122240441
3-[ethyl-[(4-pyrazol-1-ylphenyl)methyl]amino]propanoic acid
CID 61010480
3-[ethyl-[(4-methoxycarbonylphenyl)methyl]amino]propanoic acid
CID 65062900
2-chloro-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetamide
CID 54867250
methyl 3-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]propanoate
CID 64829565
N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]butanamide
CID 47927357

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]amino]propanoic acid?
The IUPAC name of 3-[ethyl-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]amino]propanoic acid (CID 65062810) is 3-[ethyl-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]amino]propanoic acid.
What is the SMILES notation for 3-[ethyl-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]amino]propanoic acid?
The canonical SMILES for 3-[ethyl-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]amino]propanoic acid is CCN(CCC(=O)O)Cc1cnn(CCO)c1.
What is the InChIKey of 3-[ethyl-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]amino]propanoic acid?
The InChIKey is HKUTXKYOCDKAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-2-13(4-3-11(16)17)8-10-7-12-14(9-10)5-6-15/h7,9,15H,2-6,8H2,1H3,(H,16,17).
What are the key properties of 3-[ethyl-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]amino]propanoic acid?
3-[ethyl-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]amino]propanoic acid has a molecular weight of 241.29 g/mol, XLogP of 0.17, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]amino]propanoic acid is sourced from PubChem (CID 65062810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).