2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-fluoroacetic acid

C9H13FN2O2 — CID 81297604

IUPAC2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-fluoroacetic acid
SMILESCCc1c(C)nn(C(F)C(=O)O)c1C
InChIInChI=1S/C9H13FN2O2/c1-4-7-5(2)11-12(6(7)3)8(10)9(13)14/h8H,4H2,1-3H3,(H,13,14)
InChIKeyIFNALJXNUCALPG-UHFFFAOYSA-N
MW200.21 g/mol
LogP1.62
Rot. Bonds3

About 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-fluoroacetic acid

2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-fluoroacetic acid (PubChem CID 81297604) has the molecular formula C9H13FN2O2 and a molecular weight of 200.21 g/mol. Its IUPAC name is 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-fluoroacetic acid.

Molecular Properties

Compound Name2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-fluoroacetic acid
PubChem CID81297604
Molecular FormulaC9H13FN2O2
Molecular Weight200.21 g/mol
Exact Mass200.10
IUPAC Name2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-fluoroacetic acid
SMILESCCc1c(C)nn(C(F)C(=O)O)c1C
InChIInChI=1S/C9H13FN2O2/c1-4-7-5(2)11-12(6(7)3)8(10)9(13)14/h8H,4H2,1-3H3,(H,13,14)
InChIKeyIFNALJXNUCALPG-UHFFFAOYSA-N
XLogP1.62
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.21
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-fluoroacetic acid?
The IUPAC name of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-fluoroacetic acid (CID 81297604) is 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-fluoroacetic acid.
What is the SMILES notation for 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-fluoroacetic acid?
The canonical SMILES for 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-fluoroacetic acid is CCc1c(C)nn(C(F)C(=O)O)c1C.
What is the InChIKey of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-fluoroacetic acid?
The InChIKey is IFNALJXNUCALPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O2/c1-4-7-5(2)11-12(6(7)3)8(10)9(13)14/h8H,4H2,1-3H3,(H,13,14).
What are the key properties of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-fluoroacetic acid?
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-fluoroacetic acid has a molecular weight of 200.21 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-fluoroacetic acid is sourced from PubChem (CID 81297604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).