5-(3-ethyl-1-methylpyrazol-4-yl)-4-formamidopentanoic acid

C12H19N3O3 — CID 112671131

IUPAC5-(3-ethyl-1-methylpyrazol-4-yl)-4-formamidopentanoic acid
SMILESCCc1nn(C)cc1CC(CCC(=O)O)NC=O
InChIInChI=1S/C12H19N3O3/c1-3-11-9(7-15(2)14-11)6-10(13-8-16)4-5-12(17)18/h7-8,10H,3-6H2,1-2H3,(H,13,16)(H,17,18)
InChIKeyFKTSPLMTQXGIFP-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.50
Rot. Bonds8

About 5-(3-ethyl-1-methylpyrazol-4-yl)-4-formamidopentanoic acid

5-(3-ethyl-1-methylpyrazol-4-yl)-4-formamidopentanoic acid (PubChem CID 112671131) 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)-4-formamidopentanoic acid.

Molecular Properties

Compound Name5-(3-ethyl-1-methylpyrazol-4-yl)-4-formamidopentanoic acid
PubChem CID112671131
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name5-(3-ethyl-1-methylpyrazol-4-yl)-4-formamidopentanoic acid
SMILESCCc1nn(C)cc1CC(CCC(=O)O)NC=O
InChIInChI=1S/C12H19N3O3/c1-3-11-9(7-15(2)14-11)6-10(13-8-16)4-5-12(17)18/h7-8,10H,3-6H2,1-2H3,(H,13,16)(H,17,18)
InChIKeyFKTSPLMTQXGIFP-UHFFFAOYSA-N
XLogP0.50
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3-ethyl-1-methylpyrazol-4-yl)-4-formamidopentanoic acid?
The IUPAC name of 5-(3-ethyl-1-methylpyrazol-4-yl)-4-formamidopentanoic acid (CID 112671131) is 5-(3-ethyl-1-methylpyrazol-4-yl)-4-formamidopentanoic acid.
What is the SMILES notation for 5-(3-ethyl-1-methylpyrazol-4-yl)-4-formamidopentanoic acid?
The canonical SMILES for 5-(3-ethyl-1-methylpyrazol-4-yl)-4-formamidopentanoic acid is CCc1nn(C)cc1CC(CCC(=O)O)NC=O.
What is the InChIKey of 5-(3-ethyl-1-methylpyrazol-4-yl)-4-formamidopentanoic acid?
The InChIKey is FKTSPLMTQXGIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-3-11-9(7-15(2)14-11)6-10(13-8-16)4-5-12(17)18/h7-8,10H,3-6H2,1-2H3,(H,13,16)(H,17,18).
What are the key properties of 5-(3-ethyl-1-methylpyrazol-4-yl)-4-formamidopentanoic acid?
5-(3-ethyl-1-methylpyrazol-4-yl)-4-formamidopentanoic acid has a molecular weight of 253.30 g/mol, XLogP of 0.50, 8 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)-4-formamidopentanoic acid is sourced from PubChem (CID 112671131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).