3-(3-aminophenyl)-N-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-amine

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 3.95 ALOGPS
logS -4.8 ALOGPS
Water Solubility 5.12e-03 g/l ALOGPS
logP 4.11 ChemAxon
IUPAC Name 3-(3-aminophenyl)-N-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-amine ChemAxon
Traditional IUPAC Name 3-(3-aminophenyl)-N-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-amine ChemAxon
Molecular Weight 335.79 ChemAxon
Monoisotopic Weight 335.09377318 ChemAxon
SMILES NC1=CC=CC(=C1)C1=C2N=C(NC3=CC=CC(Cl)=C3)C=CN2N=C1 ChemAxon
Molecular Formula C18H14ClN5 ChemAxon
InChI InChI=1S/C18H14ClN5/c19-13-4-2-6-15(10-13)22-17-7-8-24-18(23-17)16(11-21-24)12-3-1-5-14(20)9-12/h1-11H,20H2,(H,22,23) ChemAxon
InChIKey InChIKey=JDNMRPIWJIDDAY-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 68.24 ChemAxon
Refractivity 107.21 ChemAxon
Polarizability 34.52 ChemAxon
Rotatable Bond Count 3 ChemAxon
H Bond Acceptor Count 4 ChemAxon
H Bond Donor Count 2 ChemAxon
pKa (strongest acidic) 14.72 ChemAxon
pKa (strongest basic) 3.7 ChemAxon
Physiological Charge 0 ChemAxon
Number of Rings 4 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Serine/threonine-protein kinase haspin : in Human