5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxylic acid

C10H7F3N2O3 — CID 19620751

IUPAC5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(Cn2ccc(C(F)(F)F)n2)o1
InChIInChI=1S/C10H7F3N2O3/c11-10(12,13)8-3-4-15(14-8)5-6-1-2-7(18-6)9(16)17/h1-4H,5H2,(H,16,17)
InChIKeyBENPOJWBWNSYAI-UHFFFAOYSA-N
MW260.17 g/mol
LogP2.24
Rot. Bonds3

About 5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxylic acid

5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxylic acid (PubChem CID 19620751) has the molecular formula C10H7F3N2O3 and a molecular weight of 260.17 g/mol. Its IUPAC name is 5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxylic acid
PubChem CID19620751
Molecular FormulaC10H7F3N2O3
Molecular Weight260.17 g/mol
Exact Mass260.04
IUPAC Name5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(Cn2ccc(C(F)(F)F)n2)o1
InChIInChI=1S/C10H7F3N2O3/c11-10(12,13)8-3-4-15(14-8)5-6-1-2-7(18-6)9(16)17/h1-4H,5H2,(H,16,17)
InChIKeyBENPOJWBWNSYAI-UHFFFAOYSA-N
XLogP2.24
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.17
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxylic acid (CID 19620751) is 5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxylic acid is O=C(O)c1ccc(Cn2ccc(C(F)(F)F)n2)o1.
What is the InChIKey of 5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxylic acid?
The InChIKey is BENPOJWBWNSYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O3/c11-10(12,13)8-3-4-15(14-8)5-6-1-2-7(18-6)9(16)17/h1-4H,5H2,(H,16,17).
What are the key properties of 5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxylic acid?
5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxylic acid has a molecular weight of 260.17 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 19620751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).