2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propanoic acid

C7H7F3N2O2 — CID 131601570

IUPAC2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propanoic acid
SMILESCC(C(=O)O)c1cn[nH]c1C(F)(F)F
InChIInChI=1S/C7H7F3N2O2/c1-3(6(13)14)4-2-11-12-5(4)7(8,9)10/h2-3H,1H3,(H,11,12)(H,13,14)
InChIKeySCWBDHGJRDHZLL-UHFFFAOYSA-N
MW208.14 g/mol
LogP1.62
Rot. Bonds2

About 2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propanoic acid

2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propanoic acid (PubChem CID 131601570) has the molecular formula C7H7F3N2O2 and a molecular weight of 208.14 g/mol. Its IUPAC name is 2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propanoic acid.

Molecular Properties

Compound Name2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propanoic acid
PubChem CID131601570
Molecular FormulaC7H7F3N2O2
Molecular Weight208.14 g/mol
Exact Mass208.05
IUPAC Name2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propanoic acid
SMILESCC(C(=O)O)c1cn[nH]c1C(F)(F)F
InChIInChI=1S/C7H7F3N2O2/c1-3(6(13)14)4-2-11-12-5(4)7(8,9)10/h2-3H,1H3,(H,11,12)(H,13,14)
InChIKeySCWBDHGJRDHZLL-UHFFFAOYSA-N
XLogP1.62
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.14
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol
CID 141194095
2-(5-bromo-1H-pyrazol-4-yl)propanoic acid
CID 84786437
methyl 4-amino-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]butanoate
CID 138046215
N-[2,3-dihydroxy-3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propyl]acetamide
CID 170830021
2,2,2-trifluoro-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanone
CID 11009809
2-[2-(trifluoromethyl)thiophen-3-yl]propanoic acid
CID 130922376
4-(2-methylpropylsulfanyl)-5-(trifluoromethyl)-1H-pyrazole
CID 67797012
4-(methylamino)-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]butane-1,2-diol
CID 171890180
3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propanoic acid
CID 22420286
oxalic acid;[5-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine
CID 118993591
2-(methylamino)-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanone
CID 96862308
tert-butyl N-methyl-N-[5-(trifluoromethyl)-1H-pyrazol-4-yl]carbamate
CID 155144878

Frequently Asked Questions

What is the IUPAC name of 2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propanoic acid?
The IUPAC name of 2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propanoic acid (CID 131601570) is 2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propanoic acid.
What is the SMILES notation for 2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propanoic acid?
The canonical SMILES for 2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propanoic acid is CC(C(=O)O)c1cn[nH]c1C(F)(F)F.
What is the InChIKey of 2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propanoic acid?
The InChIKey is SCWBDHGJRDHZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O2/c1-3(6(13)14)4-2-11-12-5(4)7(8,9)10/h2-3H,1H3,(H,11,12)(H,13,14).
What are the key properties of 2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propanoic acid?
2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propanoic acid has a molecular weight of 208.14 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propanoic acid is sourced from PubChem (CID 131601570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).