4-(2-ethylpyrazol-3-yl)-2-fluoroaniline

C11H12FN3 — CID 63974391

IUPAC4-(2-ethylpyrazol-3-yl)-2-fluoroaniline
SMILESCCn1nccc1-c1ccc(N)c(F)c1
InChIInChI=1S/C11H12FN3/c1-2-15-11(5-6-14-15)8-3-4-10(13)9(12)7-8/h3-7H,2,13H2,1H3
InChIKeyGPBNLLWOUAEVIB-UHFFFAOYSA-N
MW205.24 g/mol
LogP2.29
Rot. Bonds2

About 4-(2-ethylpyrazol-3-yl)-2-fluoroaniline

4-(2-ethylpyrazol-3-yl)-2-fluoroaniline (PubChem CID 63974391) has the molecular formula C11H12FN3 and a molecular weight of 205.24 g/mol. Its IUPAC name is 4-(2-ethylpyrazol-3-yl)-2-fluoroaniline.

Molecular Properties

Compound Name4-(2-ethylpyrazol-3-yl)-2-fluoroaniline
PubChem CID63974391
Molecular FormulaC11H12FN3
Molecular Weight205.24 g/mol
Exact Mass205.10
IUPAC Name4-(2-ethylpyrazol-3-yl)-2-fluoroaniline
SMILESCCn1nccc1-c1ccc(N)c(F)c1
InChIInChI=1S/C11H12FN3/c1-2-15-11(5-6-14-15)8-3-4-10(13)9(12)7-8/h3-7H,2,13H2,1H3
InChIKeyGPBNLLWOUAEVIB-UHFFFAOYSA-N
XLogP2.29
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylpyrazol-3-yl)-2-fluoroaniline?
The IUPAC name of 4-(2-ethylpyrazol-3-yl)-2-fluoroaniline (CID 63974391) is 4-(2-ethylpyrazol-3-yl)-2-fluoroaniline.
What is the SMILES notation for 4-(2-ethylpyrazol-3-yl)-2-fluoroaniline?
The canonical SMILES for 4-(2-ethylpyrazol-3-yl)-2-fluoroaniline is CCn1nccc1-c1ccc(N)c(F)c1.
What is the InChIKey of 4-(2-ethylpyrazol-3-yl)-2-fluoroaniline?
The InChIKey is GPBNLLWOUAEVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3/c1-2-15-11(5-6-14-15)8-3-4-10(13)9(12)7-8/h3-7H,2,13H2,1H3.
What are the key properties of 4-(2-ethylpyrazol-3-yl)-2-fluoroaniline?
4-(2-ethylpyrazol-3-yl)-2-fluoroaniline has a molecular weight of 205.24 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylpyrazol-3-yl)-2-fluoroaniline is sourced from PubChem (CID 63974391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).