5-[2-(1-methylpyrazol-3-yl)ethylamino]-5-oxopentanoic acid

C11H17N3O3 — CID 104630849

IUPAC5-[2-(1-methylpyrazol-3-yl)ethylamino]-5-oxopentanoic acid
SMILESCn1ccc(CCNC(=O)CCCC(=O)O)n1
InChIInChI=1S/C11H17N3O3/c1-14-8-6-9(13-14)5-7-12-10(15)3-2-4-11(16)17/h6,8H,2-5,7H2,1H3,(H,12,15)(H,16,17)
InChIKeyFUCOYFOOFHCNAE-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.33
Rot. Bonds7

About 5-[2-(1-methylpyrazol-3-yl)ethylamino]-5-oxopentanoic acid

5-[2-(1-methylpyrazol-3-yl)ethylamino]-5-oxopentanoic acid (PubChem CID 104630849) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 5-[2-(1-methylpyrazol-3-yl)ethylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[2-(1-methylpyrazol-3-yl)ethylamino]-5-oxopentanoic acid
PubChem CID104630849
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name5-[2-(1-methylpyrazol-3-yl)ethylamino]-5-oxopentanoic acid
SMILESCn1ccc(CCNC(=O)CCCC(=O)O)n1
InChIInChI=1S/C11H17N3O3/c1-14-8-6-9(13-14)5-7-12-10(15)3-2-4-11(16)17/h6,8H,2-5,7H2,1H3,(H,12,15)(H,16,17)
InChIKeyFUCOYFOOFHCNAE-UHFFFAOYSA-N
XLogP0.33
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-4-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pentanamide
CID 114143984
2-[2-(1-methylpyrazol-3-yl)ethylamino]acetic acid
CID 106104698
2-[2-(1-methylpyrazol-3-yl)ethylcarbamoylamino]pentanedioic acid
CID 106105888
3-[tert-butyl-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]amino]propanoic acid
CID 106106032
2-[4-(aminomethyl)phenyl]-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide
CID 106103870
4-(2-aminoethyl)-5-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]hexanamide
CID 106105094
4-[2-(1-methylpyrazol-3-yl)ethylamino]pentanoic acid
CID 106104330
3-[2-(1-methylpyrazol-3-yl)ethylsulfamoyl]propanoic acid
CID 106104161
6-[(1-methylpyrazol-3-yl)methylamino]hexanoic acid
CID 82882592
2-(2-methoxyethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide
CID 106105035
2-(2-aminoethoxy)-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide
CID 106105100
2-chloro-N-[2-(1-methylpyrazol-3-yl)ethyl]propanamide
CID 106104407

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-methylpyrazol-3-yl)ethylamino]-5-oxopentanoic acid?
The IUPAC name of 5-[2-(1-methylpyrazol-3-yl)ethylamino]-5-oxopentanoic acid (CID 104630849) is 5-[2-(1-methylpyrazol-3-yl)ethylamino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[2-(1-methylpyrazol-3-yl)ethylamino]-5-oxopentanoic acid?
The canonical SMILES for 5-[2-(1-methylpyrazol-3-yl)ethylamino]-5-oxopentanoic acid is Cn1ccc(CCNC(=O)CCCC(=O)O)n1.
What is the InChIKey of 5-[2-(1-methylpyrazol-3-yl)ethylamino]-5-oxopentanoic acid?
The InChIKey is FUCOYFOOFHCNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-14-8-6-9(13-14)5-7-12-10(15)3-2-4-11(16)17/h6,8H,2-5,7H2,1H3,(H,12,15)(H,16,17).
What are the key properties of 5-[2-(1-methylpyrazol-3-yl)ethylamino]-5-oxopentanoic acid?
5-[2-(1-methylpyrazol-3-yl)ethylamino]-5-oxopentanoic acid has a molecular weight of 239.27 g/mol, XLogP of 0.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-methylpyrazol-3-yl)ethylamino]-5-oxopentanoic acid is sourced from PubChem (CID 104630849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).