2-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pentanoic acid

C13H23N3O2 — CID 65055851

IUPAC2-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pentanoic acid
SMILESCCCC(NC(C)c1c(C)nn(C)c1C)C(=O)O
InChIInChI=1S/C13H23N3O2/c1-6-7-11(13(17)18)14-8(2)12-9(3)15-16(5)10(12)4/h8,11,14H,6-7H2,1-5H3,(H,17,18)
InChIKeyZXWJCLLQGHSOMU-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.94
Rot. Bonds6

About 2-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pentanoic acid

2-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pentanoic acid (PubChem CID 65055851) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pentanoic acid.

Molecular Properties

Compound Name2-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pentanoic acid
PubChem CID65055851
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name2-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pentanoic acid
SMILESCCCC(NC(C)c1c(C)nn(C)c1C)C(=O)O
InChIInChI=1S/C13H23N3O2/c1-6-7-11(13(17)18)14-8(2)12-9(3)15-16(5)10(12)4/h8,11,14H,6-7H2,1-5H3,(H,17,18)
InChIKeyZXWJCLLQGHSOMU-UHFFFAOYSA-N
XLogP1.94
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]pentanoic acid
CID 43631836
2-[2-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]butanoic acid
CID 119223550
2-[[(E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]amino]pentanoic acid
CID 43630682
2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pentanoic acid
CID 65054987
2-(1,3,5-trimethylpyrazol-4-yl)oxypentanoic acid
CID 83038740
2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]pentanoic acid
CID 43631474
1-methoxy-3-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]butan-2-amine
CID 65047775
5-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pentan-2-ol
CID 107270383
2-(1-pyridin-4-ylethylamino)pentanoic acid
CID 65055511
3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pentanenitrile
CID 55101844
2-hydroxy-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]propanamide
CID 114153544
(2S)-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]nonanoic acid
CID 162690079

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pentanoic acid?
The IUPAC name of 2-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pentanoic acid (CID 65055851) is 2-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pentanoic acid.
What is the SMILES notation for 2-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pentanoic acid?
The canonical SMILES for 2-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pentanoic acid is CCCC(NC(C)c1c(C)nn(C)c1C)C(=O)O.
What is the InChIKey of 2-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pentanoic acid?
The InChIKey is ZXWJCLLQGHSOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-6-7-11(13(17)18)14-8(2)12-9(3)15-16(5)10(12)4/h8,11,14H,6-7H2,1-5H3,(H,17,18).
What are the key properties of 2-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pentanoic acid?
2-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pentanoic acid has a molecular weight of 253.35 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pentanoic acid is sourced from PubChem (CID 65055851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).