5,7-dichloro-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine

C15H10Cl2F3N3 — CID 86724872

IUPAC5,7-dichloro-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine
SMILESCc1c(Cc2cnn3c(Cl)cc(Cl)nc23)cccc1C(F)(F)F
InChIInChI=1S/C15H10Cl2F3N3/c1-8-9(3-2-4-11(8)15(18,19)20)5-10-7-21-23-13(17)6-12(16)22-14(10)23/h2-4,6-7H,5H2,1H3
InChIKeyBJNSJGFRJGMWKC-UHFFFAOYSA-N
MW360.17 g/mol
LogP4.95
Rot. Bonds2

About 5,7-dichloro-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine

5,7-dichloro-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine (PubChem CID 86724872) has the molecular formula C15H10Cl2F3N3 and a molecular weight of 360.17 g/mol. Its IUPAC name is 5,7-dichloro-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,7-dichloro-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine
PubChem CID86724872
Molecular FormulaC15H10Cl2F3N3
Molecular Weight360.17 g/mol
Exact Mass359.02
IUPAC Name5,7-dichloro-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine
SMILESCc1c(Cc2cnn3c(Cl)cc(Cl)nc23)cccc1C(F)(F)F
InChIInChI=1S/C15H10Cl2F3N3/c1-8-9(3-2-4-11(8)15(18,19)20)5-10-7-21-23-13(17)6-12(16)22-14(10)23/h2-4,6-7H,5H2,1H3
InChIKeyBJNSJGFRJGMWKC-UHFFFAOYSA-N
XLogP4.95
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.17
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5,7-dichloro-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine (CID 86724872) is 5,7-dichloro-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,7-dichloro-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,7-dichloro-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine is Cc1c(Cc2cnn3c(Cl)cc(Cl)nc23)cccc1C(F)(F)F.
What is the InChIKey of 5,7-dichloro-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is BJNSJGFRJGMWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2F3N3/c1-8-9(3-2-4-11(8)15(18,19)20)5-10-7-21-23-13(17)6-12(16)22-14(10)23/h2-4,6-7H,5H2,1H3.
What are the key properties of 5,7-dichloro-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine?
5,7-dichloro-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 360.17 g/mol, XLogP of 4.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 86724872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).