4,5-Dihydro-3-methyl-1-(2-pyridinyl)-5-(2-thienyl)-1H-pyrazole-4-carboxylic acid

Substructure search Find similar structures

Basic information

CAS: 1226149-33-2
Standard SMILES: CC1=NN(c2ccccn2)C(c2cccs2)C1C(=O)O
InChIKey: GMCLDDCERFQLDD-UHFFFAOYSA-N
Molecular formula: C14H13N3O2S
Average molar mass: 287.34 g/mol
Monoisotopic mass: 287.07284784

Names & identifiers

Preferred name: 4,5-Dihydro-3-methyl-1-(2-pyridinyl)-5-(2-thienyl)-1H-pyrazole-4-carboxylic acid
IUPAC: 5-methyl-2-pyridin-2-yl-3-thiophen-2-yl-3,4-dihydropyrazole-4-carboxylic acid

Names & synonyms

DTXSID4011336363-Methyl-1-(pyridin-2-yl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole-4-carboxylic acid4,5-Dihydro-3-methyl-1-(2-pyridinyl)-5-(2-thienyl)-1H-pyrazole-4-carboxylic acid1226149-33-2

Database identifiers

CAS: 1226149-33-2
PubChem CID: 82073014
DTXSID: DTXSID401133636

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 94 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 3
Heavy atoms: 20
Formal charge: 0
Complexity: 415

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…