1-(4-Aminophenyl)-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 2.47 ALOGPS
logS -2.8 ALOGPS
Water Solubility 4.48e-01 g/l ALOGPS
logP 1.92 ChemAxon
IUPAC Name ethyl 1-(4-aminophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylate ChemAxon
Traditional IUPAC Name ethyl 1-(4-aminophenyl)-3,5-dimethylpyrazole-4-carboxylate ChemAxon
Molecular Weight 259.3037 ChemAxon
Monoisotopic Weight 259.132076803 ChemAxon
SMILES CCOC(=O)C1=C(C)N(N=C1C)C1=CC=C(N)C=C1 ChemAxon
Molecular Formula C14H17N3O2 ChemAxon
InChI InChI=1S/C14H17N3O2/c1-4-19-14(18)13-9(2)16-17(10(13)3)12-7-5-11(15)6-8-12/h5-8H,4,15H2,1-3H3 ChemAxon
InChIKey InChIKey=FIEYZIRYXYDMSK-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 70.14 ChemAxon
Refractivity 75.64 ChemAxon
Polarizability 28.71 ChemAxon
Rotatable Bond Count 4 ChemAxon
H Bond Acceptor Count 3 ChemAxon
H Bond Donor Count 1 ChemAxon
pKa (strongest basic) 4.66 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