4-[2-(1-methylpyrazol-3-yl)ethylamino]pentanoic acid

C11H19N3O2 — CID 106104330

IUPAC4-[2-(1-methylpyrazol-3-yl)ethylamino]pentanoic acid
SMILESCC(CCC(=O)O)NCCc1ccn(C)n1
InChIInChI=1S/C11H19N3O2/c1-9(3-4-11(15)16)12-7-5-10-6-8-14(2)13-10/h6,8-9,12H,3-5,7H2,1-2H3,(H,15,16)
InChIKeyQIXBQOLBASRYOM-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.81
Rot. Bonds7

About 4-[2-(1-methylpyrazol-3-yl)ethylamino]pentanoic acid

4-[2-(1-methylpyrazol-3-yl)ethylamino]pentanoic acid (PubChem CID 106104330) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-[2-(1-methylpyrazol-3-yl)ethylamino]pentanoic acid.

Molecular Properties

Compound Name4-[2-(1-methylpyrazol-3-yl)ethylamino]pentanoic acid
PubChem CID106104330
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name4-[2-(1-methylpyrazol-3-yl)ethylamino]pentanoic acid
SMILESCC(CCC(=O)O)NCCc1ccn(C)n1
InChIInChI=1S/C11H19N3O2/c1-9(3-4-11(15)16)12-7-5-10-6-8-14(2)13-10/h6,8-9,12H,3-5,7H2,1-2H3,(H,15,16)
InChIKeyQIXBQOLBASRYOM-UHFFFAOYSA-N
XLogP0.81
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-methylpyrazol-3-yl)ethyl]-4-phenylbutan-2-amine
CID 104626268
2-[2-(1-methylpyrazol-3-yl)ethylcarbamoylamino]pentanedioic acid
CID 106105888
2-[2-(1-methylpyrazol-3-yl)ethylamino]acetic acid
CID 106104698
N-[2-(1-methylpyrazol-3-yl)ethyl]-1-methylsulfonylpropan-2-amine
CID 104629114
5-[2-(1-methylpyrazol-3-yl)ethylamino]-5-oxopentanoic acid
CID 104630849
3-[2-(1-methylpyrazol-3-yl)ethylsulfamoyl]propanoic acid
CID 106104161
2-chloro-N-[2-(1-methylpyrazol-3-yl)ethyl]propanamide
CID 106104407
N-(methylcarbamoyl)-2-[2-(1-methylpyrazol-3-yl)ethylamino]propanamide
CID 113434460
3-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]butanamide
CID 114143955
2-[2-(1-methylpyrazol-3-yl)ethylcarbamoylamino]propanoic acid
CID 106106029
4-[1-[2-(1-methylpyrazol-3-yl)ethylamino]ethyl]benzene-1,3-diol
CID 106104315
3-[tert-butyl-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]amino]propanoic acid
CID 106106032

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-methylpyrazol-3-yl)ethylamino]pentanoic acid?
The IUPAC name of 4-[2-(1-methylpyrazol-3-yl)ethylamino]pentanoic acid (CID 106104330) is 4-[2-(1-methylpyrazol-3-yl)ethylamino]pentanoic acid.
What is the SMILES notation for 4-[2-(1-methylpyrazol-3-yl)ethylamino]pentanoic acid?
The canonical SMILES for 4-[2-(1-methylpyrazol-3-yl)ethylamino]pentanoic acid is CC(CCC(=O)O)NCCc1ccn(C)n1.
What is the InChIKey of 4-[2-(1-methylpyrazol-3-yl)ethylamino]pentanoic acid?
The InChIKey is QIXBQOLBASRYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-9(3-4-11(15)16)12-7-5-10-6-8-14(2)13-10/h6,8-9,12H,3-5,7H2,1-2H3,(H,15,16).
What are the key properties of 4-[2-(1-methylpyrazol-3-yl)ethylamino]pentanoic acid?
4-[2-(1-methylpyrazol-3-yl)ethylamino]pentanoic acid has a molecular weight of 225.29 g/mol, XLogP of 0.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-methylpyrazol-3-yl)ethylamino]pentanoic acid is sourced from PubChem (CID 106104330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).