1-methyl-5-[[2-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxylic acid

C13H11F3N2O3 — CID 117217154

IUPAC1-methyl-5-[[2-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxylic acid
SMILESCn1nc(C(=O)O)cc1COc1ccccc1C(F)(F)F
InChIInChI=1S/C13H11F3N2O3/c1-18-8(6-10(17-18)12(19)20)7-21-11-5-3-2-4-9(11)13(14,15)16/h2-6H,7H2,1H3,(H,19,20)
InChIKeyOSZAUIHQSUGKRE-UHFFFAOYSA-N
MW300.24 g/mol
LogP2.72
Rot. Bonds4

About 1-methyl-5-[[2-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxylic acid

1-methyl-5-[[2-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxylic acid (PubChem CID 117217154) has the molecular formula C13H11F3N2O3 and a molecular weight of 300.24 g/mol. Its IUPAC name is 1-methyl-5-[[2-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-methyl-5-[[2-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxylic acid
PubChem CID117217154
Molecular FormulaC13H11F3N2O3
Molecular Weight300.24 g/mol
Exact Mass300.07
IUPAC Name1-methyl-5-[[2-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxylic acid
SMILESCn1nc(C(=O)O)cc1COc1ccccc1C(F)(F)F
InChIInChI=1S/C13H11F3N2O3/c1-18-8(6-10(17-18)12(19)20)7-21-11-5-3-2-4-9(11)13(14,15)16/h2-6H,7H2,1H3,(H,19,20)
InChIKeyOSZAUIHQSUGKRE-UHFFFAOYSA-N
XLogP2.72
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-5-[[2-(trifluoromethyl)phenoxy]methyl]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

Related Compounds

5-[(2-hydroxyphenoxy)methyl]-1-methylpyrazole-3-carboxylic acid
CID 117217155
1-methyl-5-[(2,4,5-trimethylphenoxy)methyl]pyrazole-3-carboxylic acid
CID 82093641
5-[(4-methoxyphenoxy)methyl]-1-methylpyrazole-3-carboxylic acid
CID 82090734
2-[[2-(trifluoromethyl)phenoxy]methyl]-1,3-thiazole-4-carboxylic acid
CID 117187055
1-methyl-3-[[2-(trifluoromethyl)phenoxy]methyl]pyrazol-5-amine
CID 117215894
1-ethyl-5-[[2-(trifluoromethyl)phenoxy]methyl]pyrazole-4-carboxylic acid
CID 117217936
3-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]-2-methylbenzoic acid
CID 82826423
1-methyl-5-(sulfanylmethyl)pyrazole-3-carboxylic acid
CID 117217191
ethane;1-phenylmethoxy-2-(trifluoromethyl)benzene
CID 144801001
5-(1,3-dihydroisoindol-2-ylmethyl)-1-methylpyrazole-3-carboxylic acid
CID 117217117
1-ethyl-2-[2-(trifluoromethyl)phenoxy]imidazole-4-carboxylic acid
CID 117189786
5-[2-hydroxy-3-methoxy-4-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxylic acid
CID 136995053

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[[2-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxylic acid?
The IUPAC name of 1-methyl-5-[[2-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxylic acid (CID 117217154) is 1-methyl-5-[[2-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-methyl-5-[[2-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxylic acid?
The canonical SMILES for 1-methyl-5-[[2-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxylic acid is Cn1nc(C(=O)O)cc1COc1ccccc1C(F)(F)F.
What is the InChIKey of 1-methyl-5-[[2-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxylic acid?
The InChIKey is OSZAUIHQSUGKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O3/c1-18-8(6-10(17-18)12(19)20)7-21-11-5-3-2-4-9(11)13(14,15)16/h2-6H,7H2,1H3,(H,19,20).
What are the key properties of 1-methyl-5-[[2-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxylic acid?
1-methyl-5-[[2-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxylic acid has a molecular weight of 300.24 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[[2-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 117217154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).