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

C11H9F3N2O2S — CID 167829328

IUPAC4-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carboxylic acid
SMILESCc1cc(C(=O)O)sc1-c1cc(C(F)(F)F)nn1C
InChIInChI=1S/C11H9F3N2O2S/c1-5-3-7(10(17)18)19-9(5)6-4-8(11(12,13)14)15-16(6)2/h3-4H,1-2H3,(H,17,18)
InChIKeyHKBKJEMGBAHVMQ-UHFFFAOYSA-N
MW290.27 g/mol
LogP3.17
Rot. Bonds2

About 4-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carboxylic acid

4-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carboxylic acid (PubChem CID 167829328) has the molecular formula C11H9F3N2O2S and a molecular weight of 290.27 g/mol. Its IUPAC name is 4-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carboxylic acid
PubChem CID167829328
Molecular FormulaC11H9F3N2O2S
Molecular Weight290.27 g/mol
Exact Mass290.03
IUPAC Name4-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carboxylic acid
SMILESCc1cc(C(=O)O)sc1-c1cc(C(F)(F)F)nn1C
InChIInChI=1S/C11H9F3N2O2S/c1-5-3-7(10(17)18)19-9(5)6-4-8(11(12,13)14)15-16(6)2/h3-4H,1-2H3,(H,17,18)
InChIKeyHKBKJEMGBAHVMQ-UHFFFAOYSA-N
XLogP3.17
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carboxylic acid?
The IUPAC name of 4-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carboxylic acid (CID 167829328) is 4-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carboxylic acid?
The canonical SMILES for 4-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carboxylic acid is Cc1cc(C(=O)O)sc1-c1cc(C(F)(F)F)nn1C.
What is the InChIKey of 4-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carboxylic acid?
The InChIKey is HKBKJEMGBAHVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O2S/c1-5-3-7(10(17)18)19-9(5)6-4-8(11(12,13)14)15-16(6)2/h3-4H,1-2H3,(H,17,18).
What are the key properties of 4-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carboxylic acid?
4-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carboxylic acid has a molecular weight of 290.27 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carboxylic acid is sourced from PubChem (CID 167829328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).