5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carboxylic acid

C10H7F3N2O2S — CID 63377869

IUPAC5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(Cn2ccc(C(F)(F)F)n2)s1
InChIInChI=1S/C10H7F3N2O2S/c11-10(12,13)8-3-4-15(14-8)5-6-1-2-7(18-6)9(16)17/h1-4H,5H2,(H,16,17)
InChIKeyPTNSHEZSIBDYTF-UHFFFAOYSA-N
MW276.24 g/mol
LogP2.71
Rot. Bonds3

About 5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carboxylic acid

5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carboxylic acid (PubChem CID 63377869) has the molecular formula C10H7F3N2O2S and a molecular weight of 276.24 g/mol. Its IUPAC name is 5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carboxylic acid
PubChem CID63377869
Molecular FormulaC10H7F3N2O2S
Molecular Weight276.24 g/mol
Exact Mass276.02
IUPAC Name5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(Cn2ccc(C(F)(F)F)n2)s1
InChIInChI=1S/C10H7F3N2O2S/c11-10(12,13)8-3-4-15(14-8)5-6-1-2-7(18-6)9(16)17/h1-4H,5H2,(H,16,17)
InChIKeyPTNSHEZSIBDYTF-UHFFFAOYSA-N
XLogP2.71
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.24
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[3-(dimethylcarbamoyl)pyrazol-1-yl]methyl]thiophene-2-carboxylic acid
CID 64780729
N-methyl-1-[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophen-2-yl]methanamine
CID 107557811
5-(pyrazol-1-ylmethyl)thiophene-2-carboxylic acid
CID 19616663
3-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carboxylic acid
CID 63640899
4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazole-2-carboxylic acid
CID 43670361
N-[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophen-2-yl]methyl]propan-1-amine
CID 107557810
3-[3-(trifluoromethyl)pyrazol-1-yl]propanoic acid
CID 19576809
2-fluoro-3-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]benzoic acid
CID 107119607
1-methyl-5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazole-4-carboxylic acid
CID 116630237
2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 2809216
5-[(4-chloropyrazol-1-yl)methyl]thiophene-2-carboxylic acid
CID 19620495
2-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]acetohydrazide
CID 105352183

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carboxylic acid (CID 63377869) is 5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carboxylic acid is O=C(O)c1ccc(Cn2ccc(C(F)(F)F)n2)s1.
What is the InChIKey of 5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carboxylic acid?
The InChIKey is PTNSHEZSIBDYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O2S/c11-10(12,13)8-3-4-15(14-8)5-6-1-2-7(18-6)9(16)17/h1-4H,5H2,(H,16,17).
What are the key properties of 5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carboxylic acid?
5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carboxylic acid has a molecular weight of 276.24 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 63377869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).