4-amino-1-ethyl-3-(2-fluorophenyl)pyrazole-5-carboxylic acid

C12H12FN3O2 — CID 142699295

IUPAC4-amino-1-ethyl-3-(2-fluorophenyl)pyrazole-5-carboxylic acid
SMILESCCn1nc(-c2ccccc2F)c(N)c1C(=O)O
InChIInChI=1S/C12H12FN3O2/c1-2-16-11(12(17)18)9(14)10(15-16)7-5-3-4-6-8(7)13/h3-6H,2,14H2,1H3,(H,17,18)
InChIKeyVXRANVSLDVKGSD-UHFFFAOYSA-N
MW249.25 g/mol
LogP1.99
Rot. Bonds3

About 4-amino-1-ethyl-3-(2-fluorophenyl)pyrazole-5-carboxylic acid

4-amino-1-ethyl-3-(2-fluorophenyl)pyrazole-5-carboxylic acid (PubChem CID 142699295) has the molecular formula C12H12FN3O2 and a molecular weight of 249.25 g/mol. Its IUPAC name is 4-amino-1-ethyl-3-(2-fluorophenyl)pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-amino-1-ethyl-3-(2-fluorophenyl)pyrazole-5-carboxylic acid
PubChem CID142699295
Molecular FormulaC12H12FN3O2
Molecular Weight249.25 g/mol
Exact Mass249.09
IUPAC Name4-amino-1-ethyl-3-(2-fluorophenyl)pyrazole-5-carboxylic acid
SMILESCCn1nc(-c2ccccc2F)c(N)c1C(=O)O
InChIInChI=1S/C12H12FN3O2/c1-2-16-11(12(17)18)9(14)10(15-16)7-5-3-4-6-8(7)13/h3-6H,2,14H2,1H3,(H,17,18)
InChIKeyVXRANVSLDVKGSD-UHFFFAOYSA-N
XLogP1.99
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-3-(2-fluorophenyl)pyrazole-5-carboxylic acid?
The IUPAC name of 4-amino-1-ethyl-3-(2-fluorophenyl)pyrazole-5-carboxylic acid (CID 142699295) is 4-amino-1-ethyl-3-(2-fluorophenyl)pyrazole-5-carboxylic acid.
What is the SMILES notation for 4-amino-1-ethyl-3-(2-fluorophenyl)pyrazole-5-carboxylic acid?
The canonical SMILES for 4-amino-1-ethyl-3-(2-fluorophenyl)pyrazole-5-carboxylic acid is CCn1nc(-c2ccccc2F)c(N)c1C(=O)O.
What is the InChIKey of 4-amino-1-ethyl-3-(2-fluorophenyl)pyrazole-5-carboxylic acid?
The InChIKey is VXRANVSLDVKGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O2/c1-2-16-11(12(17)18)9(14)10(15-16)7-5-3-4-6-8(7)13/h3-6H,2,14H2,1H3,(H,17,18).
What are the key properties of 4-amino-1-ethyl-3-(2-fluorophenyl)pyrazole-5-carboxylic acid?
4-amino-1-ethyl-3-(2-fluorophenyl)pyrazole-5-carboxylic acid has a molecular weight of 249.25 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-3-(2-fluorophenyl)pyrazole-5-carboxylic acid is sourced from PubChem (CID 142699295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).