5-[[4-amino-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxylic acid

C10H8F3N3O3 — CID 19620635

IUPAC5-[[4-amino-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxylic acid
SMILESNc1cn(Cc2ccc(C(=O)O)o2)nc1C(F)(F)F
InChIInChI=1S/C10H8F3N3O3/c11-10(12,13)8-6(14)4-16(15-8)3-5-1-2-7(19-5)9(17)18/h1-2,4H,3,14H2,(H,17,18)
InChIKeySKPXONYZBPKTPR-UHFFFAOYSA-N
MW275.19 g/mol
LogP1.82
Rot. Bonds3

About 5-[[4-amino-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxylic acid

5-[[4-amino-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxylic acid (PubChem CID 19620635) has the molecular formula C10H8F3N3O3 and a molecular weight of 275.19 g/mol. Its IUPAC name is 5-[[4-amino-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[4-amino-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxylic acid
PubChem CID19620635
Molecular FormulaC10H8F3N3O3
Molecular Weight275.19 g/mol
Exact Mass275.05
IUPAC Name5-[[4-amino-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxylic acid
SMILESNc1cn(Cc2ccc(C(=O)O)o2)nc1C(F)(F)F
InChIInChI=1S/C10H8F3N3O3/c11-10(12,13)8-6(14)4-16(15-8)3-5-1-2-7(19-5)9(17)18/h1-2,4H,3,14H2,(H,17,18)
InChIKeySKPXONYZBPKTPR-UHFFFAOYSA-N
XLogP1.82
TPSA94.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.19
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-amino-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[4-amino-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxylic acid (CID 19620635) is 5-[[4-amino-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[4-amino-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[4-amino-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxylic acid is Nc1cn(Cc2ccc(C(=O)O)o2)nc1C(F)(F)F.
What is the InChIKey of 5-[[4-amino-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxylic acid?
The InChIKey is SKPXONYZBPKTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O3/c11-10(12,13)8-6(14)4-16(15-8)3-5-1-2-7(19-5)9(17)18/h1-2,4H,3,14H2,(H,17,18).
What are the key properties of 5-[[4-amino-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxylic acid?
5-[[4-amino-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxylic acid has a molecular weight of 275.19 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-amino-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 19620635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).