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

C13H20N4O4 — CID 115990370

IUPAC5-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoylamino]-5-oxopentanoic acid
SMILESCCc1nn(C)cc1CNC(=O)NC(=O)CCCC(=O)O
InChIInChI=1S/C13H20N4O4/c1-3-10-9(8-17(2)16-10)7-14-13(21)15-11(18)5-4-6-12(19)20/h8H,3-7H2,1-2H3,(H,19,20)(H2,14,15,18,21)
InChIKeyWRIWJGQFSBXDNY-UHFFFAOYSA-N
MW296.33 g/mol
LogP0.56
Rot. Bonds7

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

5-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoylamino]-5-oxopentanoic acid (PubChem CID 115990370) has the molecular formula C13H20N4O4 and a molecular weight of 296.33 g/mol. Its IUPAC name is 5-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoylamino]-5-oxopentanoic acid
PubChem CID115990370
Molecular FormulaC13H20N4O4
Molecular Weight296.33 g/mol
Exact Mass296.15
IUPAC Name5-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoylamino]-5-oxopentanoic acid
SMILESCCc1nn(C)cc1CNC(=O)NC(=O)CCCC(=O)O
InChIInChI=1S/C13H20N4O4/c1-3-10-9(8-17(2)16-10)7-14-13(21)15-11(18)5-4-6-12(19)20/h8H,3-7H2,1-2H3,(H,19,20)(H2,14,15,18,21)
InChIKeyWRIWJGQFSBXDNY-UHFFFAOYSA-N
XLogP0.56
TPSA113.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-5-oxopentanoic acid
CID 112668369
2-[[2-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoylamino]acetyl]amino]acetic acid
CID 115991130
(2S)-3-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoylamino]-2-hydroxypropanoic acid
CID 114007698
1-[2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 115886750
1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-(2-methylprop-2-enyl)urea
CID 91661490
3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,1-dimethylurea
CID 115887051
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(methylamino)acetamide;hydrochloride
CID 120705685
2-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoylamino]pentanoic acid
CID 115991208
1-cyclopentyl-3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]urea
CID 115887050
(2R)-2-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoylamino]-4-hydroxybutanoic acid
CID 107828790
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-hydroxy-2-methylpropanamide
CID 103430361
3-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 115989215

Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoylamino]-5-oxopentanoic acid?
The IUPAC name of 5-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoylamino]-5-oxopentanoic acid (CID 115990370) is 5-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoylamino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoylamino]-5-oxopentanoic acid?
The canonical SMILES for 5-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoylamino]-5-oxopentanoic acid is CCc1nn(C)cc1CNC(=O)NC(=O)CCCC(=O)O.
What is the InChIKey of 5-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoylamino]-5-oxopentanoic acid?
The InChIKey is WRIWJGQFSBXDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O4/c1-3-10-9(8-17(2)16-10)7-14-13(21)15-11(18)5-4-6-12(19)20/h8H,3-7H2,1-2H3,(H,19,20)(H2,14,15,18,21).
What are the key properties of 5-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoylamino]-5-oxopentanoic acid?
5-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoylamino]-5-oxopentanoic acid has a molecular weight of 296.33 g/mol, XLogP of 0.56, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoylamino]-5-oxopentanoic acid is sourced from PubChem (CID 115990370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).