3-(1,3-dimethylpyrazol-4-yl)-4-fluoroaniline

C11H12FN3 — CID 104781282

IUPAC3-(1,3-dimethylpyrazol-4-yl)-4-fluoroaniline
SMILESCc1nn(C)cc1-c1cc(N)ccc1F
InChIInChI=1S/C11H12FN3/c1-7-10(6-15(2)14-7)9-5-8(13)3-4-11(9)12/h3-6H,13H2,1-2H3
InChIKeyOWXWBIHGSSESQZ-UHFFFAOYSA-N
MW205.24 g/mol
LogP2.12
Rot. Bonds1

About 3-(1,3-dimethylpyrazol-4-yl)-4-fluoroaniline

3-(1,3-dimethylpyrazol-4-yl)-4-fluoroaniline (PubChem CID 104781282) has the molecular formula C11H12FN3 and a molecular weight of 205.24 g/mol. Its IUPAC name is 3-(1,3-dimethylpyrazol-4-yl)-4-fluoroaniline.

Molecular Properties

Compound Name3-(1,3-dimethylpyrazol-4-yl)-4-fluoroaniline
PubChem CID104781282
Molecular FormulaC11H12FN3
Molecular Weight205.24 g/mol
Exact Mass205.10
IUPAC Name3-(1,3-dimethylpyrazol-4-yl)-4-fluoroaniline
SMILESCc1nn(C)cc1-c1cc(N)ccc1F
InChIInChI=1S/C11H12FN3/c1-7-10(6-15(2)14-7)9-5-8(13)3-4-11(9)12/h3-6H,13H2,1-2H3
InChIKeyOWXWBIHGSSESQZ-UHFFFAOYSA-N
XLogP2.12
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-ethyl-1-methylpyrazol-4-yl)-4-fluoroaniline
CID 104781283
4-[2-fluoro-5-(trifluoromethyl)phenyl]-1,3-dimethylpyrazole
CID 71074470
4-fluoro-3-(2-methyl-1,2,4-triazol-3-yl)aniline
CID 62696052
5-(1,3-dimethylpyrazol-4-yl)-2-fluorobenzaldehyde
CID 66008484
5-amino-2-(1,3-dimethylpyrazol-4-yl)isoindole-1,3-dione
CID 102805951
4-fluoro-3-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)aniline
CID 62720704
3-(1,3-dimethylpyrazol-4-yl)-5-methylaniline
CID 107579808
3-(1,3-dimethylpyrazol-4-yl)-2-methylaniline
CID 107627174
3-(2,5-difluorophenyl)-4-fluoroaniline
CID 104781179
3-(1,3-dimethylpyrazol-4-yl)pyrazin-2-amine
CID 112559104
3-(2,4-dimethylphenyl)-4-fluoroaniline
CID 104781174
2-(1,3-dimethylpyrazol-4-yl)-5-fluoro-N-methylaniline
CID 175313734

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dimethylpyrazol-4-yl)-4-fluoroaniline?
The IUPAC name of 3-(1,3-dimethylpyrazol-4-yl)-4-fluoroaniline (CID 104781282) is 3-(1,3-dimethylpyrazol-4-yl)-4-fluoroaniline.
What is the SMILES notation for 3-(1,3-dimethylpyrazol-4-yl)-4-fluoroaniline?
The canonical SMILES for 3-(1,3-dimethylpyrazol-4-yl)-4-fluoroaniline is Cc1nn(C)cc1-c1cc(N)ccc1F.
What is the InChIKey of 3-(1,3-dimethylpyrazol-4-yl)-4-fluoroaniline?
The InChIKey is OWXWBIHGSSESQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3/c1-7-10(6-15(2)14-7)9-5-8(13)3-4-11(9)12/h3-6H,13H2,1-2H3.
What are the key properties of 3-(1,3-dimethylpyrazol-4-yl)-4-fluoroaniline?
3-(1,3-dimethylpyrazol-4-yl)-4-fluoroaniline has a molecular weight of 205.24 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dimethylpyrazol-4-yl)-4-fluoroaniline is sourced from PubChem (CID 104781282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).