2-[[3-(difluoromethyl)-1-methylpyrazole-4-carbonyl]amino]-3-(trifluoromethyl)benzoic acid

C14H10F5N3O3 — CID 174991576

IUPAC2-[[3-(difluoromethyl)-1-methylpyrazole-4-carbonyl]amino]-3-(trifluoromethyl)benzoic acid
SMILESCn1cc(C(=O)Nc2c(C(=O)O)cccc2C(F)(F)F)c(C(F)F)n1
InChIInChI=1S/C14H10F5N3O3/c1-22-5-7(10(21-22)11(15)16)12(23)20-9-6(13(24)25)3-2-4-8(9)14(17,18)19/h2-5,11H,1H3,(H,20,23)(H,24,25)
InChIKeyWZMZTRGGOVCXNE-UHFFFAOYSA-N
MW363.24 g/mol
LogP3.33
Rot. Bonds4

About 2-[[3-(difluoromethyl)-1-methylpyrazole-4-carbonyl]amino]-3-(trifluoromethyl)benzoic acid

2-[[3-(difluoromethyl)-1-methylpyrazole-4-carbonyl]amino]-3-(trifluoromethyl)benzoic acid (PubChem CID 174991576) has the molecular formula C14H10F5N3O3 and a molecular weight of 363.24 g/mol. Its IUPAC name is 2-[[3-(difluoromethyl)-1-methylpyrazole-4-carbonyl]amino]-3-(trifluoromethyl)benzoic acid.

Molecular Properties

Compound Name2-[[3-(difluoromethyl)-1-methylpyrazole-4-carbonyl]amino]-3-(trifluoromethyl)benzoic acid
PubChem CID174991576
Molecular FormulaC14H10F5N3O3
Molecular Weight363.24 g/mol
Exact Mass363.06
IUPAC Name2-[[3-(difluoromethyl)-1-methylpyrazole-4-carbonyl]amino]-3-(trifluoromethyl)benzoic acid
SMILESCn1cc(C(=O)Nc2c(C(=O)O)cccc2C(F)(F)F)c(C(F)F)n1
InChIInChI=1S/C14H10F5N3O3/c1-22-5-7(10(21-22)11(15)16)12(23)20-9-6(13(24)25)3-2-4-8(9)14(17,18)19/h2-5,11H,1H3,(H,20,23)(H,24,25)
InChIKeyWZMZTRGGOVCXNE-UHFFFAOYSA-N
XLogP3.33
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.24
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[3-(difluoromethyl)-1-methylpyrazole-4-carbonyl]amino]-3-(trifluoromethyl)benzoic 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 2-[[3-(difluoromethyl)-1-methylpyrazole-4-carbonyl]amino]-3-(trifluoromethyl)benzoic acid?
The IUPAC name of 2-[[3-(difluoromethyl)-1-methylpyrazole-4-carbonyl]amino]-3-(trifluoromethyl)benzoic acid (CID 174991576) is 2-[[3-(difluoromethyl)-1-methylpyrazole-4-carbonyl]amino]-3-(trifluoromethyl)benzoic acid.
What is the SMILES notation for 2-[[3-(difluoromethyl)-1-methylpyrazole-4-carbonyl]amino]-3-(trifluoromethyl)benzoic acid?
The canonical SMILES for 2-[[3-(difluoromethyl)-1-methylpyrazole-4-carbonyl]amino]-3-(trifluoromethyl)benzoic acid is Cn1cc(C(=O)Nc2c(C(=O)O)cccc2C(F)(F)F)c(C(F)F)n1.
What is the InChIKey of 2-[[3-(difluoromethyl)-1-methylpyrazole-4-carbonyl]amino]-3-(trifluoromethyl)benzoic acid?
The InChIKey is WZMZTRGGOVCXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F5N3O3/c1-22-5-7(10(21-22)11(15)16)12(23)20-9-6(13(24)25)3-2-4-8(9)14(17,18)19/h2-5,11H,1H3,(H,20,23)(H,24,25).
What are the key properties of 2-[[3-(difluoromethyl)-1-methylpyrazole-4-carbonyl]amino]-3-(trifluoromethyl)benzoic acid?
2-[[3-(difluoromethyl)-1-methylpyrazole-4-carbonyl]amino]-3-(trifluoromethyl)benzoic acid has a molecular weight of 363.24 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(difluoromethyl)-1-methylpyrazole-4-carbonyl]amino]-3-(trifluoromethyl)benzoic acid is sourced from PubChem (CID 174991576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).