4-(3,5-dimethylpyrazol-1-yl)-3-fluoroaniline

C11H12FN3 — CID 19627201

IUPAC4-(3,5-dimethylpyrazol-1-yl)-3-fluoroaniline
SMILESCc1cc(C)n(-c2ccc(N)cc2F)n1
InChIInChI=1S/C11H12FN3/c1-7-5-8(2)15(14-7)11-4-3-9(13)6-10(11)12/h3-6H,13H2,1-2H3
InChIKeySOMUJVAHUCSAPU-UHFFFAOYSA-N
MW205.24 g/mol
LogP2.21
Rot. Bonds1

About 4-(3,5-dimethylpyrazol-1-yl)-3-fluoroaniline

4-(3,5-dimethylpyrazol-1-yl)-3-fluoroaniline (PubChem CID 19627201) has the molecular formula C11H12FN3 and a molecular weight of 205.24 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-3-fluoroaniline.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-3-fluoroaniline
PubChem CID19627201
Molecular FormulaC11H12FN3
Molecular Weight205.24 g/mol
Exact Mass205.10
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-3-fluoroaniline
SMILESCc1cc(C)n(-c2ccc(N)cc2F)n1
InChIInChI=1S/C11H12FN3/c1-7-5-8(2)15(14-7)11-4-3-9(13)6-10(11)12/h3-6H,13H2,1-2H3
InChIKeySOMUJVAHUCSAPU-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
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-(3,5-dimethylpyrazol-1-yl)-3-fluoroaniline?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-3-fluoroaniline (CID 19627201) is 4-(3,5-dimethylpyrazol-1-yl)-3-fluoroaniline.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-3-fluoroaniline?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-3-fluoroaniline is Cc1cc(C)n(-c2ccc(N)cc2F)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-3-fluoroaniline?
The InChIKey is SOMUJVAHUCSAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3/c1-7-5-8(2)15(14-7)11-4-3-9(13)6-10(11)12/h3-6H,13H2,1-2H3.
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-3-fluoroaniline?
4-(3,5-dimethylpyrazol-1-yl)-3-fluoroaniline has a molecular weight of 205.24 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-3-fluoroaniline is sourced from PubChem (CID 19627201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).