1-(5-methylpyrimidin-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid

C10H7F3N4O2 — CID 166545507

IUPAC1-(5-methylpyrimidin-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid
SMILESCc1cnc(-n2ncc(C(=O)O)c2C(F)(F)F)nc1
InChIInChI=1S/C10H7F3N4O2/c1-5-2-14-9(15-3-5)17-7(10(11,12)13)6(4-16-17)8(18)19/h2-4H,1H3,(H,18,19)
InChIKeySXIFPTJAIATBPX-UHFFFAOYSA-N
MW272.19 g/mol
LogP1.69
Rot. Bonds2

About 1-(5-methylpyrimidin-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid

1-(5-methylpyrimidin-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid (PubChem CID 166545507) has the molecular formula C10H7F3N4O2 and a molecular weight of 272.19 g/mol. Its IUPAC name is 1-(5-methylpyrimidin-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(5-methylpyrimidin-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid
PubChem CID166545507
Molecular FormulaC10H7F3N4O2
Molecular Weight272.19 g/mol
Exact Mass272.05
IUPAC Name1-(5-methylpyrimidin-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid
SMILESCc1cnc(-n2ncc(C(=O)O)c2C(F)(F)F)nc1
InChIInChI=1S/C10H7F3N4O2/c1-5-2-14-9(15-3-5)17-7(10(11,12)13)6(4-16-17)8(18)19/h2-4H,1H3,(H,18,19)
InChIKeySXIFPTJAIATBPX-UHFFFAOYSA-N
XLogP1.69
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methylpyrimidin-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid?
The IUPAC name of 1-(5-methylpyrimidin-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid (CID 166545507) is 1-(5-methylpyrimidin-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(5-methylpyrimidin-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 1-(5-methylpyrimidin-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid is Cc1cnc(-n2ncc(C(=O)O)c2C(F)(F)F)nc1.
What is the InChIKey of 1-(5-methylpyrimidin-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid?
The InChIKey is SXIFPTJAIATBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N4O2/c1-5-2-14-9(15-3-5)17-7(10(11,12)13)6(4-16-17)8(18)19/h2-4H,1H3,(H,18,19).
What are the key properties of 1-(5-methylpyrimidin-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid?
1-(5-methylpyrimidin-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid has a molecular weight of 272.19 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylpyrimidin-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 166545507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).