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

C13H7ClF3N3 — CID 86608000

IUPAC7-chloro-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1ccc(-c2cc(Cl)n3nccc3n2)cc1
InChIInChI=1S/C13H7ClF3N3/c14-11-7-10(19-12-5-6-18-20(11)12)8-1-3-9(4-2-8)13(15,16)17/h1-7H
InChIKeyJNMPFMRGUKJTMH-UHFFFAOYSA-N
MW297.67 g/mol
LogP4.07
Rot. Bonds1

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

7-chloro-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine (PubChem CID 86608000) has the molecular formula C13H7ClF3N3 and a molecular weight of 297.67 g/mol. Its IUPAC name is 7-chloro-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine
PubChem CID86608000
Molecular FormulaC13H7ClF3N3
Molecular Weight297.67 g/mol
Exact Mass297.03
IUPAC Name7-chloro-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1ccc(-c2cc(Cl)n3nccc3n2)cc1
InChIInChI=1S/C13H7ClF3N3/c14-11-7-10(19-12-5-6-18-20(11)12)8-1-3-9(4-2-8)13(15,16)17/h1-7H
InChIKeyJNMPFMRGUKJTMH-UHFFFAOYSA-N
XLogP4.07
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.67
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine (CID 86608000) is 7-chloro-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine is FC(F)(F)c1ccc(-c2cc(Cl)n3nccc3n2)cc1.
What is the InChIKey of 7-chloro-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is JNMPFMRGUKJTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF3N3/c14-11-7-10(19-12-5-6-18-20(11)12)8-1-3-9(4-2-8)13(15,16)17/h1-7H.
What are the key properties of 7-chloro-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine?
7-chloro-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 297.67 g/mol, XLogP of 4.07, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 86608000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).