3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole-1-carboxylic acid

C10H11F3N2O3 — CID 137357388

IUPAC3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole-1-carboxylic acid
SMILESO=C(O)n1ccc(OCCC2(C(F)(F)F)CC2)n1
InChIInChI=1S/C10H11F3N2O3/c11-10(12,13)9(2-3-9)4-6-18-7-1-5-15(14-7)8(16)17/h1,5H,2-4,6H2,(H,16,17)
InChIKeyBFEMKTWGJLRXMT-UHFFFAOYSA-N
MW264.20 g/mol
LogP2.52
Rot. Bonds4

About 3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole-1-carboxylic acid

3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole-1-carboxylic acid (PubChem CID 137357388) has the molecular formula C10H11F3N2O3 and a molecular weight of 264.20 g/mol. Its IUPAC name is 3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole-1-carboxylic acid.

Molecular Properties

Compound Name3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole-1-carboxylic acid
PubChem CID137357388
Molecular FormulaC10H11F3N2O3
Molecular Weight264.20 g/mol
Exact Mass264.07
IUPAC Name3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole-1-carboxylic acid
SMILESO=C(O)n1ccc(OCCC2(C(F)(F)F)CC2)n1
InChIInChI=1S/C10H11F3N2O3/c11-10(12,13)9(2-3-9)4-6-18-7-1-5-15(14-7)8(16)17/h1,5H,2-4,6H2,(H,16,17)
InChIKeyBFEMKTWGJLRXMT-UHFFFAOYSA-N
XLogP2.52
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole-1-carboxylic acid?
The IUPAC name of 3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole-1-carboxylic acid (CID 137357388) is 3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole-1-carboxylic acid.
What is the SMILES notation for 3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole-1-carboxylic acid?
The canonical SMILES for 3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole-1-carboxylic acid is O=C(O)n1ccc(OCCC2(C(F)(F)F)CC2)n1.
What is the InChIKey of 3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole-1-carboxylic acid?
The InChIKey is BFEMKTWGJLRXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O3/c11-10(12,13)9(2-3-9)4-6-18-7-1-5-15(14-7)8(16)17/h1,5H,2-4,6H2,(H,16,17).
What are the key properties of 3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole-1-carboxylic acid?
3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole-1-carboxylic acid has a molecular weight of 264.20 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole-1-carboxylic acid is sourced from PubChem (CID 137357388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).