7-chloro-2,5-dimethyl-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine

C15H11ClF3N3 — CID 45496355

IUPAC7-chloro-2,5-dimethyl-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine
SMILESCc1cc(Cl)n2nc(C)c(-c3ccc(C(F)(F)F)cc3)c2n1
InChIInChI=1S/C15H11ClF3N3/c1-8-7-12(16)22-14(20-8)13(9(2)21-22)10-3-5-11(6-4-10)15(17,18)19/h3-7H,1-2H3
InChIKeyTYAHKIQUUJSJSU-UHFFFAOYSA-N
MW325.72 g/mol
LogP4.69
Rot. Bonds1

About 7-chloro-2,5-dimethyl-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine

7-chloro-2,5-dimethyl-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine (PubChem CID 45496355) has the molecular formula C15H11ClF3N3 and a molecular weight of 325.72 g/mol. Its IUPAC name is 7-chloro-2,5-dimethyl-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-2,5-dimethyl-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine
PubChem CID45496355
Molecular FormulaC15H11ClF3N3
Molecular Weight325.72 g/mol
Exact Mass325.06
IUPAC Name7-chloro-2,5-dimethyl-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine
SMILESCc1cc(Cl)n2nc(C)c(-c3ccc(C(F)(F)F)cc3)c2n1
InChIInChI=1S/C15H11ClF3N3/c1-8-7-12(16)22-14(20-8)13(9(2)21-22)10-3-5-11(6-4-10)15(17,18)19/h3-7H,1-2H3
InChIKeyTYAHKIQUUJSJSU-UHFFFAOYSA-N
XLogP4.69
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.72
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2,5-dimethyl-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-2,5-dimethyl-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine (CID 45496355) is 7-chloro-2,5-dimethyl-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-2,5-dimethyl-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-2,5-dimethyl-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine is Cc1cc(Cl)n2nc(C)c(-c3ccc(C(F)(F)F)cc3)c2n1.
What is the InChIKey of 7-chloro-2,5-dimethyl-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is TYAHKIQUUJSJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3N3/c1-8-7-12(16)22-14(20-8)13(9(2)21-22)10-3-5-11(6-4-10)15(17,18)19/h3-7H,1-2H3.
What are the key properties of 7-chloro-2,5-dimethyl-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine?
7-chloro-2,5-dimethyl-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 325.72 g/mol, XLogP of 4.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2,5-dimethyl-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 45496355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).