2,2-dimethyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pentanoic acid

C11H15F3N2O2 — CID 65255309

IUPAC2,2-dimethyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pentanoic acid
SMILESCC(C)(CCCn1cc(C(F)(F)F)cn1)C(=O)O
InChIInChI=1S/C11H15F3N2O2/c1-10(2,9(17)18)4-3-5-16-7-8(6-15-16)11(12,13)14/h6-7H,3-5H2,1-2H3,(H,17,18)
InChIKeyNUQWEJVBIXZFEN-UHFFFAOYSA-N
MW264.25 g/mol
LogP2.79
Rot. Bonds5

About 2,2-dimethyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pentanoic acid

2,2-dimethyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pentanoic acid (PubChem CID 65255309) has the molecular formula C11H15F3N2O2 and a molecular weight of 264.25 g/mol. Its IUPAC name is 2,2-dimethyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pentanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pentanoic acid
PubChem CID65255309
Molecular FormulaC11H15F3N2O2
Molecular Weight264.25 g/mol
Exact Mass264.11
IUPAC Name2,2-dimethyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pentanoic acid
SMILESCC(C)(CCCn1cc(C(F)(F)F)cn1)C(=O)O
InChIInChI=1S/C11H15F3N2O2/c1-10(2,9(17)18)4-3-5-16-7-8(6-15-16)11(12,13)14/h6-7H,3-5H2,1-2H3,(H,17,18)
InChIKeyNUQWEJVBIXZFEN-UHFFFAOYSA-N
XLogP2.79
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pentanoic acid?
The IUPAC name of 2,2-dimethyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pentanoic acid (CID 65255309) is 2,2-dimethyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pentanoic acid.
What is the SMILES notation for 2,2-dimethyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pentanoic acid?
The canonical SMILES for 2,2-dimethyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pentanoic acid is CC(C)(CCCn1cc(C(F)(F)F)cn1)C(=O)O.
What is the InChIKey of 2,2-dimethyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pentanoic acid?
The InChIKey is NUQWEJVBIXZFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2/c1-10(2,9(17)18)4-3-5-16-7-8(6-15-16)11(12,13)14/h6-7H,3-5H2,1-2H3,(H,17,18).
What are the key properties of 2,2-dimethyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pentanoic acid?
2,2-dimethyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pentanoic acid has a molecular weight of 264.25 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pentanoic acid is sourced from PubChem (CID 65255309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).