4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid

C10H9F2N3O2S — CID 90383132

IUPAC4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid
SMILESCc1sc(-c2cnn(C)c2C(=O)O)nc1C(F)F
InChIInChI=1S/C10H9F2N3O2S/c1-4-6(8(11)12)14-9(18-4)5-3-13-15(2)7(5)10(16)17/h3,8H,1-2H3,(H,16,17)
InChIKeyOSFOPMLMORKJCT-UHFFFAOYSA-N
MW273.26 g/mol
LogP2.49
Rot. Bonds3

About 4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid

4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid (PubChem CID 90383132) has the molecular formula C10H9F2N3O2S and a molecular weight of 273.26 g/mol. Its IUPAC name is 4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid
PubChem CID90383132
Molecular FormulaC10H9F2N3O2S
Molecular Weight273.26 g/mol
Exact Mass273.04
IUPAC Name4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid
SMILESCc1sc(-c2cnn(C)c2C(=O)O)nc1C(F)F
InChIInChI=1S/C10H9F2N3O2S/c1-4-6(8(11)12)14-9(18-4)5-3-13-15(2)7(5)10(16)17/h3,8H,1-2H3,(H,16,17)
InChIKeyOSFOPMLMORKJCT-UHFFFAOYSA-N
XLogP2.49
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid?
The IUPAC name of 4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid (CID 90383132) is 4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid.
What is the SMILES notation for 4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid?
The canonical SMILES for 4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid is Cc1sc(-c2cnn(C)c2C(=O)O)nc1C(F)F.
What is the InChIKey of 4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid?
The InChIKey is OSFOPMLMORKJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3O2S/c1-4-6(8(11)12)14-9(18-4)5-3-13-15(2)7(5)10(16)17/h3,8H,1-2H3,(H,16,17).
What are the key properties of 4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid?
4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid has a molecular weight of 273.26 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid is sourced from PubChem (CID 90383132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).