5-amino-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid

C11H8F3N3O2 — CID 82365365

IUPAC5-amino-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid
SMILESNc1c(C(=O)O)cnn1-c1ccccc1C(F)(F)F
InChIInChI=1S/C11H8F3N3O2/c12-11(13,14)7-3-1-2-4-8(7)17-9(15)6(5-16-17)10(18)19/h1-5H,15H2,(H,18,19)
InChIKeyRACNLVLFUIDUFU-UHFFFAOYSA-N
MW271.20 g/mol
LogP2.17
Rot. Bonds2

About 5-amino-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid

5-amino-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid (PubChem CID 82365365) has the molecular formula C11H8F3N3O2 and a molecular weight of 271.20 g/mol. Its IUPAC name is 5-amino-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-amino-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid
PubChem CID82365365
Molecular FormulaC11H8F3N3O2
Molecular Weight271.20 g/mol
Exact Mass271.06
IUPAC Name5-amino-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid
SMILESNc1c(C(=O)O)cnn1-c1ccccc1C(F)(F)F
InChIInChI=1S/C11H8F3N3O2/c12-11(13,14)7-3-1-2-4-8(7)17-9(15)6(5-16-17)10(18)19/h1-5H,15H2,(H,18,19)
InChIKeyRACNLVLFUIDUFU-UHFFFAOYSA-N
XLogP2.17
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid?
The IUPAC name of 5-amino-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid (CID 82365365) is 5-amino-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-amino-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid?
The canonical SMILES for 5-amino-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid is Nc1c(C(=O)O)cnn1-c1ccccc1C(F)(F)F.
What is the InChIKey of 5-amino-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid?
The InChIKey is RACNLVLFUIDUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O2/c12-11(13,14)7-3-1-2-4-8(7)17-9(15)6(5-16-17)10(18)19/h1-5H,15H2,(H,18,19).
What are the key properties of 5-amino-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid?
5-amino-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid has a molecular weight of 271.20 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 82365365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).