2-[1-methyl-4-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetic acid

C13H11F3N2O2 — CID 105423982

IUPAC2-[1-methyl-4-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetic acid
SMILESCn1cc(-c2cccc(C(F)(F)F)c2)c(CC(=O)O)n1
InChIInChI=1S/C13H11F3N2O2/c1-18-7-10(11(17-18)6-12(19)20)8-3-2-4-9(5-8)13(14,15)16/h2-5,7H,6H2,1H3,(H,19,20)
InChIKeyNRVGIEUMYXLZNI-UHFFFAOYSA-N
MW284.24 g/mol
LogP2.73
Rot. Bonds3

About 2-[1-methyl-4-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetic acid

2-[1-methyl-4-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetic acid (PubChem CID 105423982) has the molecular formula C13H11F3N2O2 and a molecular weight of 284.24 g/mol. Its IUPAC name is 2-[1-methyl-4-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-methyl-4-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetic acid
PubChem CID105423982
Molecular FormulaC13H11F3N2O2
Molecular Weight284.24 g/mol
Exact Mass284.08
IUPAC Name2-[1-methyl-4-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetic acid
SMILESCn1cc(-c2cccc(C(F)(F)F)c2)c(CC(=O)O)n1
InChIInChI=1S/C13H11F3N2O2/c1-18-7-10(11(17-18)6-12(19)20)8-3-2-4-9(5-8)13(14,15)16/h2-5,7H,6H2,1H3,(H,19,20)
InChIKeyNRVGIEUMYXLZNI-UHFFFAOYSA-N
XLogP2.73
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3,6-bis[3-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid
CID 134623875
2-[3,5-difluoro-6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid
CID 133089566
2-[3-methoxy-5-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid
CID 134627169
2-[3-amino-2-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid
CID 134623990
2-[4-hydroxy-3-[3-(trifluoromethyl)phenyl]phenyl]acetic acid
CID 171369386
2-methyl-3-[1-methyl-4-(3-methylphenyl)pyrazol-3-yl]propanoic acid
CID 105423795
3-[4-(3-fluorophenyl)-1-methylpyrazol-3-yl]-2-methylpropanoic acid
CID 105423819
2-[2-fluoro-4-[3-(trifluoromethyl)phenyl]phenyl]acetic acid
CID 134626810
1-methyl-3-[3-(trifluoromethyl)phenyl]pyrrole-2-carboxylic acid
CID 117222908
1-ethyl-4-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxylic acid
CID 117223527
2-[3-(4-tert-butylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetic acid
CID 10982289
2-[3,5-dichloro-2-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid
CID 134623609

Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-4-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetic acid?
The IUPAC name of 2-[1-methyl-4-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetic acid (CID 105423982) is 2-[1-methyl-4-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetic acid.
What is the SMILES notation for 2-[1-methyl-4-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetic acid?
The canonical SMILES for 2-[1-methyl-4-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetic acid is Cn1cc(-c2cccc(C(F)(F)F)c2)c(CC(=O)O)n1.
What is the InChIKey of 2-[1-methyl-4-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetic acid?
The InChIKey is NRVGIEUMYXLZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O2/c1-18-7-10(11(17-18)6-12(19)20)8-3-2-4-9(5-8)13(14,15)16/h2-5,7H,6H2,1H3,(H,19,20).
What are the key properties of 2-[1-methyl-4-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetic acid?
2-[1-methyl-4-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetic acid has a molecular weight of 284.24 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methyl-4-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetic acid is sourced from PubChem (CID 105423982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).