5-methyl-2-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazole-3-carboxylic acid

C18H13F3N2O3 — CID 11360434

IUPAC5-methyl-2-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazole-3-carboxylic acid
SMILESCc1cc(C(=O)O)n(-c2cccc(-c3ccccc3OC(F)(F)F)c2)n1
InChIInChI=1S/C18H13F3N2O3/c1-11-9-15(17(24)25)23(22-11)13-6-4-5-12(10-13)14-7-2-3-8-16(14)26-18(19,20)21/h2-10H,1H3,(H,24,25)
InChIKeyYVMNBHUKJVCDQI-UHFFFAOYSA-N
MW362.31 g/mol
LogP4.44
Rot. Bonds4

About 5-methyl-2-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazole-3-carboxylic acid

5-methyl-2-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazole-3-carboxylic acid (PubChem CID 11360434) has the molecular formula C18H13F3N2O3 and a molecular weight of 362.31 g/mol. Its IUPAC name is 5-methyl-2-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-2-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazole-3-carboxylic acid
PubChem CID11360434
Molecular FormulaC18H13F3N2O3
Molecular Weight362.31 g/mol
Exact Mass362.09
IUPAC Name5-methyl-2-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazole-3-carboxylic acid
SMILESCc1cc(C(=O)O)n(-c2cccc(-c3ccccc3OC(F)(F)F)c2)n1
InChIInChI=1S/C18H13F3N2O3/c1-11-9-15(17(24)25)23(22-11)13-6-4-5-12(10-13)14-7-2-3-8-16(14)26-18(19,20)21/h2-10H,1H3,(H,24,25)
InChIKeyYVMNBHUKJVCDQI-UHFFFAOYSA-N
XLogP4.44
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.31
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-carbamoyl-4-ethyl-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazole-5-carboxylic acid
CID 69064223
5-N-ethyl-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazole-3,5-dicarboxamide
CID 53322585
3-[4-[2-(trifluoromethoxy)phenyl]phenyl]triazole-4-carboxylic acid
CID 175378379
2-(3-chlorophenyl)-5-methylpyrazole-3-carboxylic acid
CID 75355715
1-methyl-5-[5-methyl-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazol-3-yl]tetrazole
CID 11452347
1-methyl-3-[2-(trifluoromethoxy)phenyl]benzene
CID 69482191
ethane;5-ethyl-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazole-3-carboxamide;methyl formate
CID 142952358
2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid
CID 10846907
(2-methoxyphenyl)-[1-[3-[2-(trifluoromethoxy)phenyl]phenyl]imidazol-4-yl]methanone
CID 67429654
2-methyl-2-[3-[2-(trifluoromethoxy)phenyl]phenyl]propanoic acid
CID 176514239
ethane;methyl 2-[5-ethyl-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazol-3-yl]-3-methylcyclopropane-1-carboxylate
CID 142952330
4-methyl-5-oxo-6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazine-2-carboxylic acid
CID 11696778

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazole-3-carboxylic acid?
The IUPAC name of 5-methyl-2-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazole-3-carboxylic acid (CID 11360434) is 5-methyl-2-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-methyl-2-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazole-3-carboxylic acid?
The canonical SMILES for 5-methyl-2-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazole-3-carboxylic acid is Cc1cc(C(=O)O)n(-c2cccc(-c3ccccc3OC(F)(F)F)c2)n1.
What is the InChIKey of 5-methyl-2-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazole-3-carboxylic acid?
The InChIKey is YVMNBHUKJVCDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O3/c1-11-9-15(17(24)25)23(22-11)13-6-4-5-12(10-13)14-7-2-3-8-16(14)26-18(19,20)21/h2-10H,1H3,(H,24,25).
What are the key properties of 5-methyl-2-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazole-3-carboxylic acid?
5-methyl-2-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazole-3-carboxylic acid has a molecular weight of 362.31 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 11360434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).