5-[(3-carbamoyl-1-ethylpyrazol-4-yl)amino]-5-oxopentanoic acid

C11H16N4O4 — CID 44820966

IUPAC5-[(3-carbamoyl-1-ethylpyrazol-4-yl)amino]-5-oxopentanoic acid
SMILESCCn1cc(NC(=O)CCCC(=O)O)c(C(N)=O)n1
InChIInChI=1S/C11H16N4O4/c1-2-15-6-7(10(14-15)11(12)19)13-8(16)4-3-5-9(17)18/h6H,2-5H2,1H3,(H2,12,19)(H,13,16)(H,17,18)
InChIKeyXWCGGODLADKSAS-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.20
Rot. Bonds7

About 5-[(3-carbamoyl-1-ethylpyrazol-4-yl)amino]-5-oxopentanoic acid

5-[(3-carbamoyl-1-ethylpyrazol-4-yl)amino]-5-oxopentanoic acid (PubChem CID 44820966) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 5-[(3-carbamoyl-1-ethylpyrazol-4-yl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(3-carbamoyl-1-ethylpyrazol-4-yl)amino]-5-oxopentanoic acid
PubChem CID44820966
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC Name5-[(3-carbamoyl-1-ethylpyrazol-4-yl)amino]-5-oxopentanoic acid
SMILESCCn1cc(NC(=O)CCCC(=O)O)c(C(N)=O)n1
InChIInChI=1S/C11H16N4O4/c1-2-15-6-7(10(14-15)11(12)19)13-8(16)4-3-5-9(17)18/h6H,2-5H2,1H3,(H2,12,19)(H,13,16)(H,17,18)
InChIKeyXWCGGODLADKSAS-UHFFFAOYSA-N
XLogP0.20
TPSA127.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-carbamoyl-1-ethylpyrazol-4-yl)amino]-5-oxopentanoic acid?
The IUPAC name of 5-[(3-carbamoyl-1-ethylpyrazol-4-yl)amino]-5-oxopentanoic acid (CID 44820966) is 5-[(3-carbamoyl-1-ethylpyrazol-4-yl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[(3-carbamoyl-1-ethylpyrazol-4-yl)amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[(3-carbamoyl-1-ethylpyrazol-4-yl)amino]-5-oxopentanoic acid is CCn1cc(NC(=O)CCCC(=O)O)c(C(N)=O)n1.
What is the InChIKey of 5-[(3-carbamoyl-1-ethylpyrazol-4-yl)amino]-5-oxopentanoic acid?
The InChIKey is XWCGGODLADKSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4/c1-2-15-6-7(10(14-15)11(12)19)13-8(16)4-3-5-9(17)18/h6H,2-5H2,1H3,(H2,12,19)(H,13,16)(H,17,18).
What are the key properties of 5-[(3-carbamoyl-1-ethylpyrazol-4-yl)amino]-5-oxopentanoic acid?
5-[(3-carbamoyl-1-ethylpyrazol-4-yl)amino]-5-oxopentanoic acid has a molecular weight of 268.27 g/mol, XLogP of 0.20, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-carbamoyl-1-ethylpyrazol-4-yl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 44820966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).