4-amino-1-[(2-fluorophenyl)methyl]pyrazole-3-carboxylic acid

C11H10FN3O2 — CID 107344166

IUPAC4-amino-1-[(2-fluorophenyl)methyl]pyrazole-3-carboxylic acid
SMILESNc1cn(Cc2ccccc2F)nc1C(=O)O
InChIInChI=1S/C11H10FN3O2/c12-8-4-2-1-3-7(8)5-15-6-9(13)10(14-15)11(16)17/h1-4,6H,5,13H2,(H,16,17)
InChIKeyIGIYUCFEQHTFLV-UHFFFAOYSA-N
MW235.22 g/mol
LogP1.35
Rot. Bonds3

About 4-amino-1-[(2-fluorophenyl)methyl]pyrazole-3-carboxylic acid

4-amino-1-[(2-fluorophenyl)methyl]pyrazole-3-carboxylic acid (PubChem CID 107344166) has the molecular formula C11H10FN3O2 and a molecular weight of 235.22 g/mol. Its IUPAC name is 4-amino-1-[(2-fluorophenyl)methyl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-1-[(2-fluorophenyl)methyl]pyrazole-3-carboxylic acid
PubChem CID107344166
Molecular FormulaC11H10FN3O2
Molecular Weight235.22 g/mol
Exact Mass235.08
IUPAC Name4-amino-1-[(2-fluorophenyl)methyl]pyrazole-3-carboxylic acid
SMILESNc1cn(Cc2ccccc2F)nc1C(=O)O
InChIInChI=1S/C11H10FN3O2/c12-8-4-2-1-3-7(8)5-15-6-9(13)10(14-15)11(16)17/h1-4,6H,5,13H2,(H,16,17)
InChIKeyIGIYUCFEQHTFLV-UHFFFAOYSA-N
XLogP1.35
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2-fluorophenyl)methyl]pyrazole-3-carboxylic acid?
The IUPAC name of 4-amino-1-[(2-fluorophenyl)methyl]pyrazole-3-carboxylic acid (CID 107344166) is 4-amino-1-[(2-fluorophenyl)methyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 4-amino-1-[(2-fluorophenyl)methyl]pyrazole-3-carboxylic acid?
The canonical SMILES for 4-amino-1-[(2-fluorophenyl)methyl]pyrazole-3-carboxylic acid is Nc1cn(Cc2ccccc2F)nc1C(=O)O.
What is the InChIKey of 4-amino-1-[(2-fluorophenyl)methyl]pyrazole-3-carboxylic acid?
The InChIKey is IGIYUCFEQHTFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O2/c12-8-4-2-1-3-7(8)5-15-6-9(13)10(14-15)11(16)17/h1-4,6H,5,13H2,(H,16,17).
What are the key properties of 4-amino-1-[(2-fluorophenyl)methyl]pyrazole-3-carboxylic acid?
4-amino-1-[(2-fluorophenyl)methyl]pyrazole-3-carboxylic acid has a molecular weight of 235.22 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2-fluorophenyl)methyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 107344166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).