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

C12H14FN3 — CID 104781283

IUPAC3-(3-ethyl-1-methylpyrazol-4-yl)-4-fluoroaniline
SMILESCCc1nn(C)cc1-c1cc(N)ccc1F
InChIInChI=1S/C12H14FN3/c1-3-12-10(7-16(2)15-12)9-6-8(14)4-5-11(9)13/h4-7H,3,14H2,1-2H3
InChIKeyLMRNCOHOBPMUQA-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.37
Rot. Bonds2

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

3-(3-ethyl-1-methylpyrazol-4-yl)-4-fluoroaniline (PubChem CID 104781283) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is 3-(3-ethyl-1-methylpyrazol-4-yl)-4-fluoroaniline.

Molecular Properties

Compound Name3-(3-ethyl-1-methylpyrazol-4-yl)-4-fluoroaniline
PubChem CID104781283
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC Name3-(3-ethyl-1-methylpyrazol-4-yl)-4-fluoroaniline
SMILESCCc1nn(C)cc1-c1cc(N)ccc1F
InChIInChI=1S/C12H14FN3/c1-3-12-10(7-16(2)15-12)9-6-8(14)4-5-11(9)13/h4-7H,3,14H2,1-2H3
InChIKeyLMRNCOHOBPMUQA-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 3-(3-ethyl-1-methylpyrazol-4-yl)-4-fluoroaniline with MolForge

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

Launch Full Analysis

Related Compounds

3-(1,3-dimethylpyrazol-4-yl)-4-fluoroaniline
CID 104781282
4-(3-ethyl-1-methylpyrazol-4-yl)-2-fluoroaniline
CID 66008493
[4-(3-ethyl-1-methylpyrazol-4-yl)-3-fluorophenyl]methanamine
CID 81442406
5-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-fluorobenzamide
CID 115988870
3-(3-ethyl-1-methylpyrazol-4-yl)pyridin-2-amine
CID 66008698
4-fluoro-3-(1-propylpyrazol-4-yl)aniline
CID 104781165
4-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-fluorobenzenesulfonamide
CID 107461994
4-fluoro-3-(1-methyl-3-propylpyrazol-4-yl)benzoic acid
CID 114020659
5-(3-ethyl-1-methylpyrazol-4-yl)-4-methylpyridin-2-amine
CID 79729522
4-(3-ethyl-1-methylpyrazol-4-yl)-2-methylaniline
CID 66008901
1-[2-(3-ethyl-1-methylpyrazol-4-yl)-4-fluorophenyl]-N-methylmethanamine
CID 114060527
[2-(3-ethyl-1-methylpyrazol-4-yl)phenyl]methanamine
CID 66008084

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-1-methylpyrazol-4-yl)-4-fluoroaniline?
The IUPAC name of 3-(3-ethyl-1-methylpyrazol-4-yl)-4-fluoroaniline (CID 104781283) is 3-(3-ethyl-1-methylpyrazol-4-yl)-4-fluoroaniline.
What is the SMILES notation for 3-(3-ethyl-1-methylpyrazol-4-yl)-4-fluoroaniline?
The canonical SMILES for 3-(3-ethyl-1-methylpyrazol-4-yl)-4-fluoroaniline is CCc1nn(C)cc1-c1cc(N)ccc1F.
What is the InChIKey of 3-(3-ethyl-1-methylpyrazol-4-yl)-4-fluoroaniline?
The InChIKey is LMRNCOHOBPMUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3/c1-3-12-10(7-16(2)15-12)9-6-8(14)4-5-11(9)13/h4-7H,3,14H2,1-2H3.
What are the key properties of 3-(3-ethyl-1-methylpyrazol-4-yl)-4-fluoroaniline?
3-(3-ethyl-1-methylpyrazol-4-yl)-4-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 3-(3-ethyl-1-methylpyrazol-4-yl)-4-fluoroaniline is sourced from PubChem (CID 104781283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).