4-((2-Fluoroethyl)(methyl)carbamoyl)-1-methyl-1H-pyrazole-5-carboxylic acid

HCID 58446862
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Basic information

Standard SMILES
CN(CCF)C(=O)c1cnn(C)c1C(=O)O
InChIKey
RYOCIJISKCZSRO-UHFFFAOYSA-N
Molecular formula
C9H12FN3O3
Average molar mass
229.21 g/mol

Names & identifiers

Preferred name
4-((2-Fluoroethyl)(methyl)carbamoyl)-1-methyl-1H-pyrazole-5-carboxylic acid
IUPAC
4-[2-fluoroethyl(methyl)carbamoyl]-1-methylpyrazole-5-carboxylic acid

Names & synonyms

SCHEMBL2385193RYOCIJISKCZSRO-UHFFFAOYSA-N4-((2-Fluoroethyl)(methyl)carbamoyl)-1-methyl-1H-pyrazole-5-carboxylic acid

Database identifiers

PubChem CID
58446862

Properties

Computed structural properties

XLogP
-0.1
Topological polar surface area
75.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
16

Related reactions

1 records
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Linked notes

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