4-[3-(4-CHLOROPHENYL)-1H-PYRAZOL-5-YL]PIPERIDINE

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 3.16 ALOGPS
logS -3.8 ALOGPS
Water Solubility 4.16e-02 g/l ALOGPS
logP 2.86 ChemAxon
IUPAC Name 4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidine ChemAxon
Traditional IUPAC Name 4-[5-(4-chlorophenyl)-2H-pyrazol-3-yl]piperidine ChemAxon
Molecular Weight 261.75 ChemAxon
Monoisotopic Weight 261.103275234 ChemAxon
SMILES ClC1=CC=C(C=C1)C1=NNC(=C1)C1CCNCC1 ChemAxon
Molecular Formula C14H16ClN3 ChemAxon
InChI InChI=1S/C14H16ClN3/c15-12-3-1-10(2-4-12)13-9-14(18-17-13)11-5-7-16-8-6-11/h1-4,9,11,16H,5-8H2,(H,17,18) ChemAxon
InChIKey InChIKey=GELALLNTKKLQLM-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 40.71 ChemAxon
Refractivity 74.69 ChemAxon
Polarizability 28.99 ChemAxon
Rotatable Bond Count 2 ChemAxon
H Bond Acceptor Count 2 ChemAxon
H Bond Donor Count 2 ChemAxon
pKa (strongest acidic) 14.67 ChemAxon
pKa (strongest basic) 10.09 ChemAxon
Physiological Charge 1 ChemAxon
Number of Rings 3 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Prothrombin : in Human