1-(5-Tert-Butyl-2-Methyl-2h-Pyrazol-3-Yl)-3-(4-Chloro-Phenyl)-Urea

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as n-phenylureas. These are compounds containing a N-phenylurea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a urea group.

N-phenylureas

Organic compounds

Benzenoids

Benzene and substituted derivatives

N-phenylureas

Calculated Property

kind Value Source
logP 3.92 ALOGPS
logS -3.7 ALOGPS
Water Solubility 6.31e-02 g/l ALOGPS
logP 4.17 ChemAxon
IUPAC Name 3-(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)-1-(4-chlorophenyl)urea ChemAxon
Traditional IUPAC Name C15H19clN4O ChemAxon
Molecular Weight 306.791 ChemAxon
Monoisotopic Weight 306.124738957 ChemAxon
SMILES CN1N=C(C=C1NC(=O)NC1=CC=C(Cl)C=C1)C(C)(C)C ChemAxon
Molecular Formula C15H19ClN4O ChemAxon
InChI InChI=1S/C15H19ClN4O/c1-15(2,3)12-9-13(20(4)19-12)18-14(21)17-11-7-5-10(16)6-8-11/h5-9H,1-4H3,(H2,17,18,21) ChemAxon
InChIKey InChIKey=FWIJKWMXNHRSRO-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 58.95 ChemAxon
Refractivity 97.31 ChemAxon
Polarizability 31.29 ChemAxon
Rotatable Bond Count 3 ChemAxon
H Bond Acceptor Count 2 ChemAxon
H Bond Donor Count 2 ChemAxon
pKa (strongest acidic) 11.61 ChemAxon
pKa (strongest basic) 2.3 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

  • Mitogen-activated protein kinase 14 : in Human