4-[(1-cyclopentylpyrazol-3-yl)methoxy]-3-fluoroaniline

C15H18FN3O — CID 64799045

IUPAC4-[(1-cyclopentylpyrazol-3-yl)methoxy]-3-fluoroaniline
SMILESNc1ccc(OCc2ccn(C3CCCC3)n2)c(F)c1
InChIInChI=1S/C15H18FN3O/c16-14-9-11(17)5-6-15(14)20-10-12-7-8-19(18-12)13-3-1-2-4-13/h5-9,13H,1-4,10,17H2
InChIKeyIIVYVPIKLACPGA-UHFFFAOYSA-N
MW275.33 g/mol
LogP3.30
Rot. Bonds4

About 4-[(1-cyclopentylpyrazol-3-yl)methoxy]-3-fluoroaniline

4-[(1-cyclopentylpyrazol-3-yl)methoxy]-3-fluoroaniline (PubChem CID 64799045) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 4-[(1-cyclopentylpyrazol-3-yl)methoxy]-3-fluoroaniline.

Molecular Properties

Compound Name4-[(1-cyclopentylpyrazol-3-yl)methoxy]-3-fluoroaniline
PubChem CID64799045
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name4-[(1-cyclopentylpyrazol-3-yl)methoxy]-3-fluoroaniline
SMILESNc1ccc(OCc2ccn(C3CCCC3)n2)c(F)c1
InChIInChI=1S/C15H18FN3O/c16-14-9-11(17)5-6-15(14)20-10-12-7-8-19(18-12)13-3-1-2-4-13/h5-9,13H,1-4,10,17H2
InChIKeyIIVYVPIKLACPGA-UHFFFAOYSA-N
XLogP3.30
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(1-cyclopentylpyrazol-3-yl)methoxy]-3-fluoroaniline?
The IUPAC name of 4-[(1-cyclopentylpyrazol-3-yl)methoxy]-3-fluoroaniline (CID 64799045) is 4-[(1-cyclopentylpyrazol-3-yl)methoxy]-3-fluoroaniline.
What is the SMILES notation for 4-[(1-cyclopentylpyrazol-3-yl)methoxy]-3-fluoroaniline?
The canonical SMILES for 4-[(1-cyclopentylpyrazol-3-yl)methoxy]-3-fluoroaniline is Nc1ccc(OCc2ccn(C3CCCC3)n2)c(F)c1.
What is the InChIKey of 4-[(1-cyclopentylpyrazol-3-yl)methoxy]-3-fluoroaniline?
The InChIKey is IIVYVPIKLACPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c16-14-9-11(17)5-6-15(14)20-10-12-7-8-19(18-12)13-3-1-2-4-13/h5-9,13H,1-4,10,17H2.
What are the key properties of 4-[(1-cyclopentylpyrazol-3-yl)methoxy]-3-fluoroaniline?
4-[(1-cyclopentylpyrazol-3-yl)methoxy]-3-fluoroaniline has a molecular weight of 275.33 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-cyclopentylpyrazol-3-yl)methoxy]-3-fluoroaniline is sourced from PubChem (CID 64799045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).