2-(1-cyclohexylpyrazol-4-yl)-4-fluoroaniline

C15H18FN3 — CID 171116031

IUPAC2-(1-cyclohexylpyrazol-4-yl)-4-fluoroaniline
SMILESNc1ccc(F)cc1-c1cnn(C2CCCCC2)c1
InChIInChI=1S/C15H18FN3/c16-12-6-7-15(17)14(8-12)11-9-18-19(10-11)13-4-2-1-3-5-13/h6-10,13H,1-5,17H2
InChIKeyIHPZOFBLGRREHJ-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.78
Rot. Bonds2

About 2-(1-cyclohexylpyrazol-4-yl)-4-fluoroaniline

2-(1-cyclohexylpyrazol-4-yl)-4-fluoroaniline (PubChem CID 171116031) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is 2-(1-cyclohexylpyrazol-4-yl)-4-fluoroaniline.

Molecular Properties

Compound Name2-(1-cyclohexylpyrazol-4-yl)-4-fluoroaniline
PubChem CID171116031
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC Name2-(1-cyclohexylpyrazol-4-yl)-4-fluoroaniline
SMILESNc1ccc(F)cc1-c1cnn(C2CCCCC2)c1
InChIInChI=1S/C15H18FN3/c16-12-6-7-15(17)14(8-12)11-9-18-19(10-11)13-4-2-1-3-5-13/h6-10,13H,1-5,17H2
InChIKeyIHPZOFBLGRREHJ-UHFFFAOYSA-N
XLogP3.78
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.78
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 2-(1-cyclohexylpyrazol-4-yl)-4-fluoroaniline?
The IUPAC name of 2-(1-cyclohexylpyrazol-4-yl)-4-fluoroaniline (CID 171116031) is 2-(1-cyclohexylpyrazol-4-yl)-4-fluoroaniline.
What is the SMILES notation for 2-(1-cyclohexylpyrazol-4-yl)-4-fluoroaniline?
The canonical SMILES for 2-(1-cyclohexylpyrazol-4-yl)-4-fluoroaniline is Nc1ccc(F)cc1-c1cnn(C2CCCCC2)c1.
What is the InChIKey of 2-(1-cyclohexylpyrazol-4-yl)-4-fluoroaniline?
The InChIKey is IHPZOFBLGRREHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3/c16-12-6-7-15(17)14(8-12)11-9-18-19(10-11)13-4-2-1-3-5-13/h6-10,13H,1-5,17H2.
What are the key properties of 2-(1-cyclohexylpyrazol-4-yl)-4-fluoroaniline?
2-(1-cyclohexylpyrazol-4-yl)-4-fluoroaniline has a molecular weight of 259.33 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexylpyrazol-4-yl)-4-fluoroaniline is sourced from PubChem (CID 171116031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).