2-[[5-(trifluoromethyl)oxolan-3-yl]methyl]pyrazole-3-carboxylic acid

C10H11F3N2O3 — CID 175835374

IUPAC2-[[5-(trifluoromethyl)oxolan-3-yl]methyl]pyrazole-3-carboxylic acid
SMILESO=C(O)c1ccnn1CC1COC(C(F)(F)F)C1
InChIInChI=1S/C10H11F3N2O3/c11-10(12,13)8-3-6(5-18-8)4-15-7(9(16)17)1-2-14-15/h1-2,6,8H,3-5H2,(H,16,17)
InChIKeyILPHNVUGBFYCSQ-UHFFFAOYSA-N
MW264.20 g/mol
LogP1.55
Rot. Bonds3

About 2-[[5-(trifluoromethyl)oxolan-3-yl]methyl]pyrazole-3-carboxylic acid

2-[[5-(trifluoromethyl)oxolan-3-yl]methyl]pyrazole-3-carboxylic acid (PubChem CID 175835374) has the molecular formula C10H11F3N2O3 and a molecular weight of 264.20 g/mol. Its IUPAC name is 2-[[5-(trifluoromethyl)oxolan-3-yl]methyl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name2-[[5-(trifluoromethyl)oxolan-3-yl]methyl]pyrazole-3-carboxylic acid
PubChem CID175835374
Molecular FormulaC10H11F3N2O3
Molecular Weight264.20 g/mol
Exact Mass264.07
IUPAC Name2-[[5-(trifluoromethyl)oxolan-3-yl]methyl]pyrazole-3-carboxylic acid
SMILESO=C(O)c1ccnn1CC1COC(C(F)(F)F)C1
InChIInChI=1S/C10H11F3N2O3/c11-10(12,13)8-3-6(5-18-8)4-15-7(9(16)17)1-2-14-15/h1-2,6,8H,3-5H2,(H,16,17)
InChIKeyILPHNVUGBFYCSQ-UHFFFAOYSA-N
XLogP1.55
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(trifluoromethyl)oxolan-3-yl]methyl]pyrazole-3-carboxylic acid?
The IUPAC name of 2-[[5-(trifluoromethyl)oxolan-3-yl]methyl]pyrazole-3-carboxylic acid (CID 175835374) is 2-[[5-(trifluoromethyl)oxolan-3-yl]methyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 2-[[5-(trifluoromethyl)oxolan-3-yl]methyl]pyrazole-3-carboxylic acid?
The canonical SMILES for 2-[[5-(trifluoromethyl)oxolan-3-yl]methyl]pyrazole-3-carboxylic acid is O=C(O)c1ccnn1CC1COC(C(F)(F)F)C1.
What is the InChIKey of 2-[[5-(trifluoromethyl)oxolan-3-yl]methyl]pyrazole-3-carboxylic acid?
The InChIKey is ILPHNVUGBFYCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O3/c11-10(12,13)8-3-6(5-18-8)4-15-7(9(16)17)1-2-14-15/h1-2,6,8H,3-5H2,(H,16,17).
What are the key properties of 2-[[5-(trifluoromethyl)oxolan-3-yl]methyl]pyrazole-3-carboxylic acid?
2-[[5-(trifluoromethyl)oxolan-3-yl]methyl]pyrazole-3-carboxylic acid has a molecular weight of 264.20 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(trifluoromethyl)oxolan-3-yl]methyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 175835374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).