1-(4-Methoxyphenyl)-3,5-Dimethyl-1h-Pyrazole-4-Carboxylic Acid Ethyl Ester

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.

Phenylpyrazoles

Organic compounds

Organoheterocyclic compounds

Azoles

Pyrazoles

Calculated Property

kind Value Source
logP 2.88 ALOGPS
logS -3.1 ALOGPS
Water Solubility 2.31e-01 g/l ALOGPS
logP 2.59 ChemAxon
IUPAC Name ethyl 1-(4-methoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylate ChemAxon
Traditional IUPAC Name ethyl 1-(4-methoxyphenyl)-3,5-dimethylpyrazole-4-carboxylate ChemAxon
Molecular Weight 274.315 ChemAxon
Monoisotopic Weight 274.131742452 ChemAxon
SMILES CCOC(=O)C1=C(C)N(N=C1C)C1=CC=C(OC)C=C1 ChemAxon
Molecular Formula C15H18N2O3 ChemAxon
InChI InChI=1S/C15H18N2O3/c1-5-20-15(18)14-10(2)16-17(11(14)3)12-6-8-13(19-4)9-7-12/h6-9H,5H2,1-4H3 ChemAxon
InChIKey InChIKey=ZDSXCFSUGVAQSB-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 53.35 ChemAxon
Refractivity 77.4 ChemAxon
Polarizability 30.23 ChemAxon
Rotatable Bond Count 5 ChemAxon
H Bond Acceptor Count 3 ChemAxon
H Bond Donor Count 0 ChemAxon
pKa (strongest basic) 1.99 ChemAxon
Physiological Charge 0 ChemAxon
Number of Rings 2 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • cAMP-specific 3′,5′-cyclic phosphodiesterase 4D : in Human