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

C9H11F3N2O2 — CID 119053475

IUPAC2-methyl-2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid
SMILESCc1cn(C(C)(C)C(=O)O)nc1C(F)(F)F
InChIInChI=1S/C9H11F3N2O2/c1-5-4-14(8(2,3)7(15)16)13-6(5)9(10,11)12/h4H,1-3H3,(H,15,16)
InChIKeyAUYOHSDKAZFHLI-UHFFFAOYSA-N
MW236.19 g/mol
LogP2.03
Rot. Bonds2

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

2-methyl-2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid (PubChem CID 119053475) has the molecular formula C9H11F3N2O2 and a molecular weight of 236.19 g/mol. Its IUPAC name is 2-methyl-2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid
PubChem CID119053475
Molecular FormulaC9H11F3N2O2
Molecular Weight236.19 g/mol
Exact Mass236.08
IUPAC Name2-methyl-2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid
SMILESCc1cn(C(C)(C)C(=O)O)nc1C(F)(F)F
InChIInChI=1S/C9H11F3N2O2/c1-5-4-14(8(2,3)7(15)16)13-6(5)9(10,11)12/h4H,1-3H3,(H,15,16)
InChIKeyAUYOHSDKAZFHLI-UHFFFAOYSA-N
XLogP2.03
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.19
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid?
The IUPAC name of 2-methyl-2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid (CID 119053475) is 2-methyl-2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid?
The canonical SMILES for 2-methyl-2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid is Cc1cn(C(C)(C)C(=O)O)nc1C(F)(F)F.
What is the InChIKey of 2-methyl-2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid?
The InChIKey is AUYOHSDKAZFHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O2/c1-5-4-14(8(2,3)7(15)16)13-6(5)9(10,11)12/h4H,1-3H3,(H,15,16).
What are the key properties of 2-methyl-2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid?
2-methyl-2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid has a molecular weight of 236.19 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 119053475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).