3-chloro-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

C14H6ClF4N3O2 — CID 1113815

IUPAC3-chloro-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1nn2c(C(F)(F)F)cc(-c3ccc(F)cc3)nc2c1Cl
InChIInChI=1S/C14H6ClF4N3O2/c15-10-11(13(23)24)21-22-9(14(17,18)19)5-8(20-12(10)22)6-1-3-7(16)4-2-6/h1-5H,(H,23,24)
InChIKeyDDZCWAMLPBEEIJ-UHFFFAOYSA-N
MW359.67 g/mol
LogP3.91
Rot. Bonds2

About 3-chloro-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

3-chloro-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (PubChem CID 1113815) has the molecular formula C14H6ClF4N3O2 and a molecular weight of 359.67 g/mol. Its IUPAC name is 3-chloro-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name3-chloro-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
PubChem CID1113815
Molecular FormulaC14H6ClF4N3O2
Molecular Weight359.67 g/mol
Exact Mass359.01
IUPAC Name3-chloro-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1nn2c(C(F)(F)F)cc(-c3ccc(F)cc3)nc2c1Cl
InChIInChI=1S/C14H6ClF4N3O2/c15-10-11(13(23)24)21-22-9(14(17,18)19)5-8(20-12(10)22)6-1-3-7(16)4-2-6/h1-5H,(H,23,24)
InChIKeyDDZCWAMLPBEEIJ-UHFFFAOYSA-N
XLogP3.91
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.67
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 3-chloro-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (CID 1113815) is 3-chloro-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 3-chloro-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 3-chloro-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is O=C(O)c1nn2c(C(F)(F)F)cc(-c3ccc(F)cc3)nc2c1Cl.
What is the InChIKey of 3-chloro-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The InChIKey is DDZCWAMLPBEEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6ClF4N3O2/c15-10-11(13(23)24)21-22-9(14(17,18)19)5-8(20-12(10)22)6-1-3-7(16)4-2-6/h1-5H,(H,23,24).
What are the key properties of 3-chloro-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
3-chloro-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid has a molecular weight of 359.67 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 1113815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).