3-[ethyl-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]amino]butanoic acid

C15H27N3O2 — CID 65060995

IUPAC3-[ethyl-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]amino]butanoic acid
SMILESCCN(C(C)CC(=O)O)C(C)c1c(C)nn(CC)c1C
InChIInChI=1S/C15H27N3O2/c1-7-17(10(3)9-14(19)20)12(5)15-11(4)16-18(8-2)13(15)6/h10,12H,7-9H2,1-6H3,(H,19,20)
InChIKeyRSBWFALLLGYAJP-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.77
Rot. Bonds7

About 3-[ethyl-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]amino]butanoic acid

3-[ethyl-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]amino]butanoic acid (PubChem CID 65060995) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 3-[ethyl-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]amino]butanoic acid.

Molecular Properties

Compound Name3-[ethyl-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]amino]butanoic acid
PubChem CID65060995
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name3-[ethyl-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]amino]butanoic acid
SMILESCCN(C(C)CC(=O)O)C(C)c1c(C)nn(CC)c1C
InChIInChI=1S/C15H27N3O2/c1-7-17(10(3)9-14(19)20)12(5)15-11(4)16-18(8-2)13(15)6/h10,12H,7-9H2,1-6H3,(H,19,20)
InChIKeyRSBWFALLLGYAJP-UHFFFAOYSA-N
XLogP2.77
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[cyclopropyl-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]amino]propanoic acid
CID 65054538
3-[ethyl(propan-2-yl)amino]butanoic acid
CID 43537443
1-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]pyrrolidine-2-carboxylic acid
CID 65056599
N-ethyl-2-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]-N-methylpropanamide
CID 103107285
3-[ethyl-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)amino]butanoic acid
CID 66012570
2-amino-2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanol
CID 130641286
5-acetyl-N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 95230186
1-cyclopropyl-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-N-methylethane-1,2-diamine
CID 116651261
tert-butyl N-[3-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]propyl]carbamate
CID 103781144
1-benzyl-3-[(1S)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-(3-hydroxypropyl)urea
CID 125443803
N-[(1S)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)acetamide
CID 137125644
3-[ethyl-(2-ethyl-5-methylpyrazole-3-carbonyl)amino]butanoic acid
CID 66127193

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]amino]butanoic acid?
The IUPAC name of 3-[ethyl-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]amino]butanoic acid (CID 65060995) is 3-[ethyl-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]amino]butanoic acid.
What is the SMILES notation for 3-[ethyl-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]amino]butanoic acid?
The canonical SMILES for 3-[ethyl-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]amino]butanoic acid is CCN(C(C)CC(=O)O)C(C)c1c(C)nn(CC)c1C.
What is the InChIKey of 3-[ethyl-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]amino]butanoic acid?
The InChIKey is RSBWFALLLGYAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-7-17(10(3)9-14(19)20)12(5)15-11(4)16-18(8-2)13(15)6/h10,12H,7-9H2,1-6H3,(H,19,20).
What are the key properties of 3-[ethyl-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]amino]butanoic acid?
3-[ethyl-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]amino]butanoic acid has a molecular weight of 281.40 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]amino]butanoic acid is sourced from PubChem (CID 65060995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).