4-(3-ethyl-1-methylpyrazol-4-yl)-2-fluoroaniline

C12H14FN3 — CID 66008493

IUPAC4-(3-ethyl-1-methylpyrazol-4-yl)-2-fluoroaniline
SMILESCCc1nn(C)cc1-c1ccc(N)c(F)c1
InChIInChI=1S/C12H14FN3/c1-3-12-9(7-16(2)15-12)8-4-5-11(14)10(13)6-8/h4-7H,3,14H2,1-2H3
InChIKeyLVKWTLJOMPABQD-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.37
Rot. Bonds2

About 4-(3-ethyl-1-methylpyrazol-4-yl)-2-fluoroaniline

4-(3-ethyl-1-methylpyrazol-4-yl)-2-fluoroaniline (PubChem CID 66008493) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is 4-(3-ethyl-1-methylpyrazol-4-yl)-2-fluoroaniline.

Molecular Properties

Compound Name4-(3-ethyl-1-methylpyrazol-4-yl)-2-fluoroaniline
PubChem CID66008493
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC Name4-(3-ethyl-1-methylpyrazol-4-yl)-2-fluoroaniline
SMILESCCc1nn(C)cc1-c1ccc(N)c(F)c1
InChIInChI=1S/C12H14FN3/c1-3-12-9(7-16(2)15-12)8-4-5-11(14)10(13)6-8/h4-7H,3,14H2,1-2H3
InChIKeyLVKWTLJOMPABQD-UHFFFAOYSA-N
XLogP2.37
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(3-ethyl-1-methylpyrazol-4-yl)-2-fluoroaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyl-1-methylpyrazol-4-yl)-2-fluoroaniline?
The IUPAC name of 4-(3-ethyl-1-methylpyrazol-4-yl)-2-fluoroaniline (CID 66008493) is 4-(3-ethyl-1-methylpyrazol-4-yl)-2-fluoroaniline.
What is the SMILES notation for 4-(3-ethyl-1-methylpyrazol-4-yl)-2-fluoroaniline?
The canonical SMILES for 4-(3-ethyl-1-methylpyrazol-4-yl)-2-fluoroaniline is CCc1nn(C)cc1-c1ccc(N)c(F)c1.
What is the InChIKey of 4-(3-ethyl-1-methylpyrazol-4-yl)-2-fluoroaniline?
The InChIKey is LVKWTLJOMPABQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3/c1-3-12-9(7-16(2)15-12)8-4-5-11(14)10(13)6-8/h4-7H,3,14H2,1-2H3.
What are the key properties of 4-(3-ethyl-1-methylpyrazol-4-yl)-2-fluoroaniline?
4-(3-ethyl-1-methylpyrazol-4-yl)-2-fluoroaniline has a molecular weight of 219.26 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-1-methylpyrazol-4-yl)-2-fluoroaniline is sourced from PubChem (CID 66008493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).