5,7-dichloro-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine

C13H6Cl2F3N3O — CID 89389879

IUPAC5,7-dichloro-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)Oc1cccc(-c2cnn3c(Cl)cc(Cl)nc23)c1
InChIInChI=1S/C13H6Cl2F3N3O/c14-10-5-11(15)21-12(20-10)9(6-19-21)7-2-1-3-8(4-7)22-13(16,17)18/h1-6H
InChIKeyVAWUFICEJBEWDR-UHFFFAOYSA-N
MW348.11 g/mol
LogP4.60
Rot. Bonds2

About 5,7-dichloro-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine

5,7-dichloro-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine (PubChem CID 89389879) has the molecular formula C13H6Cl2F3N3O and a molecular weight of 348.11 g/mol. Its IUPAC name is 5,7-dichloro-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,7-dichloro-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine
PubChem CID89389879
Molecular FormulaC13H6Cl2F3N3O
Molecular Weight348.11 g/mol
Exact Mass346.98
IUPAC Name5,7-dichloro-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)Oc1cccc(-c2cnn3c(Cl)cc(Cl)nc23)c1
InChIInChI=1S/C13H6Cl2F3N3O/c14-10-5-11(15)21-12(20-10)9(6-19-21)7-2-1-3-8(4-7)22-13(16,17)18/h1-6H
InChIKeyVAWUFICEJBEWDR-UHFFFAOYSA-N
XLogP4.60
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.11
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5,7-dichloro-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,7-dichloro-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidine
CID 82274339
1,2,4-trichloro-5-[3-(trifluoromethoxy)phenyl]benzene
CID 118994485
2-[4-[[7-amino-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol
CID 71235314
2,4-dimethyl-5-[3-(trifluoromethoxy)phenyl]pyrimidine
CID 119023762
1-fluoro-4-(trifluoromethoxy)-2-[3-(trifluoromethoxy)phenyl]benzene
CID 134629043
2-bromo-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 126674393
1,2-difluoro-3-[3-(trifluoromethoxy)phenyl]benzene
CID 22355337
5-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine
CID 22326853
[6-chloro-2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol
CID 134630815
3,5-bis[3-(trifluoromethoxy)phenyl]pyridine
CID 134623402
1,2-dimethyl-3-[3-(trifluoromethoxy)phenyl]benzene
CID 57085724
4-chloro-2-(difluoromethoxy)-1-[3-(trifluoromethoxy)phenyl]benzene
CID 118828304

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5,7-dichloro-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine (CID 89389879) is 5,7-dichloro-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,7-dichloro-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,7-dichloro-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine is FC(F)(F)Oc1cccc(-c2cnn3c(Cl)cc(Cl)nc23)c1.
What is the InChIKey of 5,7-dichloro-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is VAWUFICEJBEWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl2F3N3O/c14-10-5-11(15)21-12(20-10)9(6-19-21)7-2-1-3-8(4-7)22-13(16,17)18/h1-6H.
What are the key properties of 5,7-dichloro-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine?
5,7-dichloro-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 348.11 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 89389879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).