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

C15H7F6N3O2 — CID 87792307

IUPAC2-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1c(C(F)(F)F)nn2ccc(-c3ccc(C(F)(F)F)cc3)nc12
InChIInChI=1S/C15H7F6N3O2/c16-14(17,18)8-3-1-7(2-4-8)9-5-6-24-12(22-9)10(13(25)26)11(23-24)15(19,20)21/h1-6H,(H,25,26)
InChIKeyYVNBMEFQYCCTMY-UHFFFAOYSA-N
MW375.23 g/mol
LogP4.13
Rot. Bonds2

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

2-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 87792307) has the molecular formula C15H7F6N3O2 and a molecular weight of 375.23 g/mol. Its IUPAC name is 2-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name2-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID87792307
Molecular FormulaC15H7F6N3O2
Molecular Weight375.23 g/mol
Exact Mass375.04
IUPAC Name2-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1c(C(F)(F)F)nn2ccc(-c3ccc(C(F)(F)F)cc3)nc12
InChIInChI=1S/C15H7F6N3O2/c16-14(17,18)8-3-1-7(2-4-8)9-5-6-24-12(22-9)10(13(25)26)11(23-24)15(19,20)21/h1-6H,(H,25,26)
InChIKeyYVNBMEFQYCCTMY-UHFFFAOYSA-N
XLogP4.13
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.23
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid
CID 117137722
5-(4-chlorophenyl)-2-(methanesulfonamido)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 90695589
1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazole-5-carboxylic acid
CID 13370512
2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-7-carboxylic acid
CID 117135507
3-amino-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid
CID 155817766
6-amino-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 84705598
5-chloro-1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid
CID 175213535
4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidine-2-carboxylic acid
CID 57468714
1-(4-fluorophenyl)-5-methyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid
CID 3672642
2-[3,6-bis[4-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid
CID 134623890
[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl] carbamate
CID 69371327
5-fluoro-1-methyl-3-(trifluoromethyl)-N-[2-[4-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide
CID 87620755

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 2-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 87792307) is 2-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 2-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 2-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is O=C(O)c1c(C(F)(F)F)nn2ccc(-c3ccc(C(F)(F)F)cc3)nc12.
What is the InChIKey of 2-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is YVNBMEFQYCCTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7F6N3O2/c16-14(17,18)8-3-1-7(2-4-8)9-5-6-24-12(22-9)10(13(25)26)11(23-24)15(19,20)21/h1-6H,(H,25,26).
What are the key properties of 2-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
2-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 375.23 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 87792307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).