5-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-5-oxopentanoic acid

C12H19N3O3 — CID 112668369

IUPAC5-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-5-oxopentanoic acid
SMILESCCc1nn(C)cc1CNC(=O)CCCC(=O)O
InChIInChI=1S/C12H19N3O3/c1-3-10-9(8-15(2)14-10)7-13-11(16)5-4-6-12(17)18/h8H,3-7H2,1-2H3,(H,13,16)(H,17,18)
InChIKeyGTYFZEHUHFPGIU-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.85
Rot. Bonds7

About 5-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-5-oxopentanoic acid

5-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-5-oxopentanoic acid (PubChem CID 112668369) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 5-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-5-oxopentanoic acid
PubChem CID112668369
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name5-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-5-oxopentanoic acid
SMILESCCc1nn(C)cc1CNC(=O)CCCC(=O)O
InChIInChI=1S/C12H19N3O3/c1-3-10-9(8-15(2)14-10)7-13-11(16)5-4-6-12(17)18/h8H,3-7H2,1-2H3,(H,13,16)(H,17,18)
InChIKeyGTYFZEHUHFPGIU-UHFFFAOYSA-N
XLogP0.85
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoylamino]-5-oxopentanoic acid
CID 115990370
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(methylamino)acetamide;hydrochloride
CID 120705685
tert-butyl 4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-4-oxobutanoate
CID 106707672
2-[[2-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoylamino]acetyl]amino]acetic acid
CID 115991130
3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,1-dimethylurea
CID 115887051
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-piperidin-4-ylpropanamide
CID 115989866
2-(butan-2-ylamino)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]acetamide
CID 112669166
1-[2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 115886750
N-[(1,3-dimethylpyrazol-4-yl)methyl]pentanamide
CID 42352342
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-hydroxy-2-methylpropanamide
CID 103430361
2-(2-aminoethoxy)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]acetamide
CID 112669329
2-(1-aminocyclobutyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]acetamide
CID 112669267

Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-5-oxopentanoic acid?
The IUPAC name of 5-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-5-oxopentanoic acid (CID 112668369) is 5-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-5-oxopentanoic acid?
The canonical SMILES for 5-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-5-oxopentanoic acid is CCc1nn(C)cc1CNC(=O)CCCC(=O)O.
What is the InChIKey of 5-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-5-oxopentanoic acid?
The InChIKey is GTYFZEHUHFPGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-3-10-9(8-15(2)14-10)7-13-11(16)5-4-6-12(17)18/h8H,3-7H2,1-2H3,(H,13,16)(H,17,18).
What are the key properties of 5-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-5-oxopentanoic acid?
5-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-5-oxopentanoic acid has a molecular weight of 253.30 g/mol, XLogP of 0.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-5-oxopentanoic acid is sourced from PubChem (CID 112668369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).