1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]pyrazole-3-carboxylic acid

C18H10F7N3O2 — CID 118209238

IUPAC1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]pyrazole-3-carboxylic acid
SMILESCc1nc(C(F)(F)F)ccc1-c1cc(C(=O)O)nn1-c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C18H10F7N3O2/c1-8-10(3-5-15(26-8)18(23,24)25)14-7-13(16(29)30)27-28(14)9-2-4-11(12(19)6-9)17(20,21)22/h2-7H,1H3,(H,29,30)
InChIKeySVSBVZNUMSFXNK-UHFFFAOYSA-N
MW433.28 g/mol
LogP5.12
Rot. Bonds3

About 1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]pyrazole-3-carboxylic acid

1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]pyrazole-3-carboxylic acid (PubChem CID 118209238) has the molecular formula C18H10F7N3O2 and a molecular weight of 433.28 g/mol. Its IUPAC name is 1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]pyrazole-3-carboxylic acid
PubChem CID118209238
Molecular FormulaC18H10F7N3O2
Molecular Weight433.28 g/mol
Exact Mass433.07
IUPAC Name1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]pyrazole-3-carboxylic acid
SMILESCc1nc(C(F)(F)F)ccc1-c1cc(C(=O)O)nn1-c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C18H10F7N3O2/c1-8-10(3-5-15(26-8)18(23,24)25)14-7-13(16(29)30)27-28(14)9-2-4-11(12(19)6-9)17(20,21)22/h2-7H,1H3,(H,29,30)
InChIKeySVSBVZNUMSFXNK-UHFFFAOYSA-N
XLogP5.12
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.28
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]pyrazole-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]pyrazole-3-carboxylic acid?
The IUPAC name of 1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]pyrazole-3-carboxylic acid (CID 118209238) is 1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]pyrazole-3-carboxylic acid?
The canonical SMILES for 1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]pyrazole-3-carboxylic acid is Cc1nc(C(F)(F)F)ccc1-c1cc(C(=O)O)nn1-c1ccc(C(F)(F)F)c(F)c1.
What is the InChIKey of 1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]pyrazole-3-carboxylic acid?
The InChIKey is SVSBVZNUMSFXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F7N3O2/c1-8-10(3-5-15(26-8)18(23,24)25)14-7-13(16(29)30)27-28(14)9-2-4-11(12(19)6-9)17(20,21)22/h2-7H,1H3,(H,29,30).
What are the key properties of 1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]pyrazole-3-carboxylic acid?
1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]pyrazole-3-carboxylic acid has a molecular weight of 433.28 g/mol, XLogP of 5.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 118209238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).