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

C12H19N3O3 — CID 19620302

IUPAC5-[(1-ethyl-5-methylpyrazol-4-yl)methylamino]-5-oxopentanoic acid
SMILESCCn1ncc(CNC(=O)CCCC(=O)O)c1C
InChIInChI=1S/C12H19N3O3/c1-3-15-9(2)10(8-14-15)7-13-11(16)5-4-6-12(17)18/h8H,3-7H2,1-2H3,(H,13,16)(H,17,18)
InChIKeyTUAUIABXIGNHIS-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.08
Rot. Bonds7

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

5-[(1-ethyl-5-methylpyrazol-4-yl)methylamino]-5-oxopentanoic acid (PubChem CID 19620302) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 5-[(1-ethyl-5-methylpyrazol-4-yl)methylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(1-ethyl-5-methylpyrazol-4-yl)methylamino]-5-oxopentanoic acid
PubChem CID19620302
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name5-[(1-ethyl-5-methylpyrazol-4-yl)methylamino]-5-oxopentanoic acid
SMILESCCn1ncc(CNC(=O)CCCC(=O)O)c1C
InChIInChI=1S/C12H19N3O3/c1-3-15-9(2)10(8-14-15)7-13-11(16)5-4-6-12(17)18/h8H,3-7H2,1-2H3,(H,13,16)(H,17,18)
InChIKeyTUAUIABXIGNHIS-UHFFFAOYSA-N
XLogP1.08
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 ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-ethyl-5-methylpyrazol-4-yl)methylamino]-5-oxopentanoic acid?
The IUPAC name of 5-[(1-ethyl-5-methylpyrazol-4-yl)methylamino]-5-oxopentanoic acid (CID 19620302) is 5-[(1-ethyl-5-methylpyrazol-4-yl)methylamino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[(1-ethyl-5-methylpyrazol-4-yl)methylamino]-5-oxopentanoic acid?
The canonical SMILES for 5-[(1-ethyl-5-methylpyrazol-4-yl)methylamino]-5-oxopentanoic acid is CCn1ncc(CNC(=O)CCCC(=O)O)c1C.
What is the InChIKey of 5-[(1-ethyl-5-methylpyrazol-4-yl)methylamino]-5-oxopentanoic acid?
The InChIKey is TUAUIABXIGNHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-3-15-9(2)10(8-14-15)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-[(1-ethyl-5-methylpyrazol-4-yl)methylamino]-5-oxopentanoic acid?
5-[(1-ethyl-5-methylpyrazol-4-yl)methylamino]-5-oxopentanoic acid has a molecular weight of 253.30 g/mol, XLogP of 1.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-ethyl-5-methylpyrazol-4-yl)methylamino]-5-oxopentanoic acid is sourced from PubChem (CID 19620302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).