2-[4-chloro-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid

C7H6ClF3N2O2 — CID 19620189

IUPAC2-[4-chloro-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid
SMILESCC(C(=O)O)n1cc(Cl)c(C(F)(F)F)n1
InChIInChI=1S/C7H6ClF3N2O2/c1-3(6(14)15)13-2-4(8)5(12-13)7(9,10)11/h2-3H,1H3,(H,14,15)
InChIKeyUIDRJVSHLSFRTP-UHFFFAOYSA-N
MW242.58 g/mol
LogP2.20
Rot. Bonds2

About 2-[4-chloro-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid

2-[4-chloro-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid (PubChem CID 19620189) has the molecular formula C7H6ClF3N2O2 and a molecular weight of 242.58 g/mol. Its IUPAC name is 2-[4-chloro-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-chloro-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid
PubChem CID19620189
Molecular FormulaC7H6ClF3N2O2
Molecular Weight242.58 g/mol
Exact Mass242.01
IUPAC Name2-[4-chloro-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid
SMILESCC(C(=O)O)n1cc(Cl)c(C(F)(F)F)n1
InChIInChI=1S/C7H6ClF3N2O2/c1-3(6(14)15)13-2-4(8)5(12-13)7(9,10)11/h2-3H,1H3,(H,14,15)
InChIKeyUIDRJVSHLSFRTP-UHFFFAOYSA-N
XLogP2.20
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.58
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-3-methyl-1H-pyrazol-1-yl)acetic acid
CID 3268477
2-(4-chloro-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetic acid
CID 19576709
2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid
CID 19616392
2-(4-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetic acid
CID 119053479
2-[4-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid
CID 86208017
2-(4-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)butanoic acid
CID 119055638
4-Chloro-3-methyl-1H-pyrazole-1-propanoic acid
CID 7018410
2-[4-Chloro-3-(trifluoromethyl)pyrazol-1-yl]pentanoic acid
CID 118104929
1-[4-Chloro-3-(trifluoromethyl)pyrazol-1-yl]cyclobutane-1-carboxylic acid
CID 118104962
4-Chloro-5-methyl-1H-pyrazole-1-propanoic acid
CID 7018414
(2R)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanoate
CID 7017527
(2R)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanoic acid
CID 7017528

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid?
The IUPAC name of 2-[4-chloro-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid (CID 19620189) is 2-[4-chloro-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-chloro-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid?
The canonical SMILES for 2-[4-chloro-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid is CC(C(=O)O)n1cc(Cl)c(C(F)(F)F)n1.
What is the InChIKey of 2-[4-chloro-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid?
The InChIKey is UIDRJVSHLSFRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF3N2O2/c1-3(6(14)15)13-2-4(8)5(12-13)7(9,10)11/h2-3H,1H3,(H,14,15).
What are the key properties of 2-[4-chloro-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid?
2-[4-chloro-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid has a molecular weight of 242.58 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 19620189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).