2-[5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]sulfanylacetic acid

C12H10F3N3O2S — CID 62409710

IUPAC2-[5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]sulfanylacetic acid
SMILESCc1cc(SCC(=O)O)n(-c2ccc(C(F)(F)F)cn2)n1
InChIInChI=1S/C12H10F3N3O2S/c1-7-4-10(21-6-11(19)20)18(17-7)9-3-2-8(5-16-9)12(13,14)15/h2-5H,6H2,1H3,(H,19,20)
InChIKeyMZCSPHRJABCOQG-UHFFFAOYSA-N
MW317.29 g/mol
LogP2.77
Rot. Bonds4

About 2-[5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]sulfanylacetic acid

2-[5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]sulfanylacetic acid (PubChem CID 62409710) has the molecular formula C12H10F3N3O2S and a molecular weight of 317.29 g/mol. Its IUPAC name is 2-[5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]sulfanylacetic acid
PubChem CID62409710
Molecular FormulaC12H10F3N3O2S
Molecular Weight317.29 g/mol
Exact Mass317.04
IUPAC Name2-[5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]sulfanylacetic acid
SMILESCc1cc(SCC(=O)O)n(-c2ccc(C(F)(F)F)cn2)n1
InChIInChI=1S/C12H10F3N3O2S/c1-7-4-10(21-6-11(19)20)18(17-7)9-3-2-8(5-16-9)12(13,14)15/h2-5H,6H2,1H3,(H,19,20)
InChIKeyMZCSPHRJABCOQG-UHFFFAOYSA-N
XLogP2.77
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.29
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]sulfanylacetic 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-[5-methyl-2-(4-methyl-2-pyridinyl)pyrazol-3-yl]sulfanylacetic acid
CID 62408189
2-methyl-3-[methyl-[[5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]carbamoyl]amino]propanoic acid
CID 122075538
2-[2-(2,4-dimethylphenyl)-5-methylpyrazol-3-yl]sulfanylacetic acid
CID 62410277
1-methyl-3-[5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]-1-prop-2-enylurea
CID 99823227
2-[2-(2-bromophenyl)-5-methylpyrazol-3-yl]sulfanylacetic acid
CID 62408754
2-[1-(5-bromo-2-pyridinyl)-3-propylpyrazol-5-yl]sulfanylacetic acid
CID 65349430
2-(2,5-dimethylpyrazol-3-yl)sulfanylacetic acid
CID 62409331
2-[3-(difluoromethyl)-1-(6-methylpyridazin-3-yl)pyrazol-5-yl]sulfanylacetic acid
CID 62891921
5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-amine
CID 25248264
[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate
CID 55509358
2-[2-(3-methoxyphenyl)-5-methylpyrazol-3-yl]sulfanylacetic acid
CID 114798749
N-(5-methyl-2-phenylpyrazol-3-yl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 17420505

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]sulfanylacetic acid?
The IUPAC name of 2-[5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]sulfanylacetic acid (CID 62409710) is 2-[5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]sulfanylacetic acid.
What is the SMILES notation for 2-[5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]sulfanylacetic acid?
The canonical SMILES for 2-[5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]sulfanylacetic acid is Cc1cc(SCC(=O)O)n(-c2ccc(C(F)(F)F)cn2)n1.
What is the InChIKey of 2-[5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]sulfanylacetic acid?
The InChIKey is MZCSPHRJABCOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O2S/c1-7-4-10(21-6-11(19)20)18(17-7)9-3-2-8(5-16-9)12(13,14)15/h2-5H,6H2,1H3,(H,19,20).
What are the key properties of 2-[5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]sulfanylacetic acid?
2-[5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]sulfanylacetic acid has a molecular weight of 317.29 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]sulfanylacetic acid is sourced from PubChem (CID 62409710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).