5-[2-methyl-4-[[4-propan-2-yl-1-[2-(trifluoromethoxy)phenyl]pyrazol-5-yl]methoxy]phenyl]thiophene-2-carboxylic acid

C26H23F3N2O4S — CID 24780511

IUPAC5-[2-methyl-4-[[4-propan-2-yl-1-[2-(trifluoromethoxy)phenyl]pyrazol-5-yl]methoxy]phenyl]thiophene-2-carboxylic acid
SMILESCc1cc(OCc2c(C(C)C)cnn2-c2ccccc2OC(F)(F)F)ccc1-c1ccc(C(=O)O)s1
InChIInChI=1S/C26H23F3N2O4S/c1-15(2)19-13-30-31(20-6-4-5-7-22(20)35-26(27,28)29)21(19)14-34-17-8-9-18(16(3)12-17)23-10-11-24(36-23)25(32)33/h4-13,15H,14H2,1-3H3,(H,32,33)
InChIKeyZLSHXKXFGGKERO-UHFFFAOYSA-N
MW516.54 g/mol
LogP7.21
Rot. Bonds8

About 5-[2-methyl-4-[[4-propan-2-yl-1-[2-(trifluoromethoxy)phenyl]pyrazol-5-yl]methoxy]phenyl]thiophene-2-carboxylic acid

5-[2-methyl-4-[[4-propan-2-yl-1-[2-(trifluoromethoxy)phenyl]pyrazol-5-yl]methoxy]phenyl]thiophene-2-carboxylic acid (PubChem CID 24780511) has the molecular formula C26H23F3N2O4S and a molecular weight of 516.54 g/mol. Its IUPAC name is 5-[2-methyl-4-[[4-propan-2-yl-1-[2-(trifluoromethoxy)phenyl]pyrazol-5-yl]methoxy]phenyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-methyl-4-[[4-propan-2-yl-1-[2-(trifluoromethoxy)phenyl]pyrazol-5-yl]methoxy]phenyl]thiophene-2-carboxylic acid
PubChem CID24780511
Molecular FormulaC26H23F3N2O4S
Molecular Weight516.54 g/mol
Exact Mass516.13
IUPAC Name5-[2-methyl-4-[[4-propan-2-yl-1-[2-(trifluoromethoxy)phenyl]pyrazol-5-yl]methoxy]phenyl]thiophene-2-carboxylic acid
SMILESCc1cc(OCc2c(C(C)C)cnn2-c2ccccc2OC(F)(F)F)ccc1-c1ccc(C(=O)O)s1
InChIInChI=1S/C26H23F3N2O4S/c1-15(2)19-13-30-31(20-6-4-5-7-22(20)35-26(27,28)29)21(19)14-34-17-8-9-18(16(3)12-17)23-10-11-24(36-23)25(32)33/h4-13,15H,14H2,1-3H3,(H,32,33)
InChIKeyZLSHXKXFGGKERO-UHFFFAOYSA-N
XLogP7.21
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.54
LogP ≤ 57.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[2-methyl-4-[[4-propan-2-yl-1-[2-(trifluoromethoxy)phenyl]pyrazol-5-yl]methoxy]phenyl]thiophene-2-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

2-[6-[[3-Methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methoxy]-1-benzothiophen-3-yl]acetic acid
CID 10095083
2-[6-[2-[3-Methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]propoxy]-1-benzothiophen-3-yl]acetic acid
CID 10457603
4-[[N,2-dimethyl-4-[[4-propan-2-yl-2-[2-(trifluoromethoxy)phenyl]pyrazol-3-yl]methoxy]anilino]methyl]benzoic acid
CID 24780220
6-[2-Methyl-4-[[4-propan-2-yl-2-[2-(trifluoromethoxy)phenyl]pyrazol-3-yl]methoxy]phenyl]-1-benzothiophene-3-carboxylic acid
CID 24780373
4-Methyl-2-[2-methyl-4-[[4-propan-2-yl-2-[2-(trifluoromethoxy)phenyl]pyrazol-3-yl]methoxy]phenyl]-1,3-thiazole-5-carboxylic acid
CID 24780512
4-[[N,2-dimethyl-4-[[4-propan-2-yl-2-[2-(trifluoromethoxy)phenyl]pyrazol-3-yl]methoxy]anilino]methyl]-2-methylbenzoic acid
CID 24780514
methyl 3-[(E)-2-[2-methyl-4-[[4-propan-2-yl-1-[2-(trifluoromethyl)phenyl]pyrazol-5-yl]methoxy]phenyl]ethenyl]benzoate
CID 57443362
3-[(E)-2-[2-methyl-4-[[4-propan-2-yl-2-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]methoxy]phenyl]ethenyl]benzoic acid
CID 57443370
5-[1-[2-[4-(Trifluoromethoxy)phenyl]ethyl]pyrazol-3-yl]thiophene-2-carboxylic acid
CID 58657326
3-(2-{4-[4-Isopropyl-2-(2-trifluoromethyl-phenyl)-2H-pyrazol-3-ylmethoxy]-2-methyl-phenyl}-vinyl)-benzoic acid methyl ester
CID 67527608
4-[2-[2-Methyl-4-[[4-propan-2-yl-2-[2-(trifluoromethoxy)phenyl]pyrazol-3-yl]methoxy]phenyl]propan-2-ylsulfanyl]benzoic acid
CID 67527653
4-[Ethyl-methyl-[2-methyl-4-[[4-propan-2-yl-1-[2-(trifluoromethoxy)phenyl]pyrazol-5-yl]methoxy]phenyl]-lambda4-sulfanyl]benzoic acid
CID 67527656

Frequently Asked Questions

What is the IUPAC name of 5-[2-methyl-4-[[4-propan-2-yl-1-[2-(trifluoromethoxy)phenyl]pyrazol-5-yl]methoxy]phenyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[2-methyl-4-[[4-propan-2-yl-1-[2-(trifluoromethoxy)phenyl]pyrazol-5-yl]methoxy]phenyl]thiophene-2-carboxylic acid (CID 24780511) is 5-[2-methyl-4-[[4-propan-2-yl-1-[2-(trifluoromethoxy)phenyl]pyrazol-5-yl]methoxy]phenyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[2-methyl-4-[[4-propan-2-yl-1-[2-(trifluoromethoxy)phenyl]pyrazol-5-yl]methoxy]phenyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[2-methyl-4-[[4-propan-2-yl-1-[2-(trifluoromethoxy)phenyl]pyrazol-5-yl]methoxy]phenyl]thiophene-2-carboxylic acid is Cc1cc(OCc2c(C(C)C)cnn2-c2ccccc2OC(F)(F)F)ccc1-c1ccc(C(=O)O)s1.
What is the InChIKey of 5-[2-methyl-4-[[4-propan-2-yl-1-[2-(trifluoromethoxy)phenyl]pyrazol-5-yl]methoxy]phenyl]thiophene-2-carboxylic acid?
The InChIKey is ZLSHXKXFGGKERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N2O4S/c1-15(2)19-13-30-31(20-6-4-5-7-22(20)35-26(27,28)29)21(19)14-34-17-8-9-18(16(3)12-17)23-10-11-24(36-23)25(32)33/h4-13,15H,14H2,1-3H3,(H,32,33).
What are the key properties of 5-[2-methyl-4-[[4-propan-2-yl-1-[2-(trifluoromethoxy)phenyl]pyrazol-5-yl]methoxy]phenyl]thiophene-2-carboxylic acid?
5-[2-methyl-4-[[4-propan-2-yl-1-[2-(trifluoromethoxy)phenyl]pyrazol-5-yl]methoxy]phenyl]thiophene-2-carboxylic acid has a molecular weight of 516.54 g/mol, XLogP of 7.21, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methyl-4-[[4-propan-2-yl-1-[2-(trifluoromethoxy)phenyl]pyrazol-5-yl]methoxy]phenyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 24780511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).