4-[3-(1-fluoroethyl)-4,5-dimethoxyphenyl]-1H-pyrazol-5-amine

C13H16FN3O2 — CID 117416880

IUPAC4-[3-(1-fluoroethyl)-4,5-dimethoxyphenyl]-1H-pyrazol-5-amine
SMILESCOc1cc(-c2cn[nH]c2N)cc(C(C)F)c1OC
InChIInChI=1S/C13H16FN3O2/c1-7(14)9-4-8(10-6-16-17-13(10)15)5-11(18-2)12(9)19-3/h4-7H,1-3H3,(H3,15,16,17)
InChIKeyZRIIPOWMPUFRIG-UHFFFAOYSA-N
MW265.29 g/mol
LogP2.71
Rot. Bonds4

About 4-[3-(1-fluoroethyl)-4,5-dimethoxyphenyl]-1H-pyrazol-5-amine

4-[3-(1-fluoroethyl)-4,5-dimethoxyphenyl]-1H-pyrazol-5-amine (PubChem CID 117416880) has the molecular formula C13H16FN3O2 and a molecular weight of 265.29 g/mol. Its IUPAC name is 4-[3-(1-fluoroethyl)-4,5-dimethoxyphenyl]-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-[3-(1-fluoroethyl)-4,5-dimethoxyphenyl]-1H-pyrazol-5-amine
PubChem CID117416880
Molecular FormulaC13H16FN3O2
Molecular Weight265.29 g/mol
Exact Mass265.12
IUPAC Name4-[3-(1-fluoroethyl)-4,5-dimethoxyphenyl]-1H-pyrazol-5-amine
SMILESCOc1cc(-c2cn[nH]c2N)cc(C(C)F)c1OC
InChIInChI=1S/C13H16FN3O2/c1-7(14)9-4-8(10-6-16-17-13(10)15)5-11(18-2)12(9)19-3/h4-7H,1-3H3,(H3,15,16,17)
InChIKeyZRIIPOWMPUFRIG-UHFFFAOYSA-N
XLogP2.71
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-fluoroethyl)-4,5-dimethoxyphenyl]-1H-pyrazol-5-amine?
The IUPAC name of 4-[3-(1-fluoroethyl)-4,5-dimethoxyphenyl]-1H-pyrazol-5-amine (CID 117416880) is 4-[3-(1-fluoroethyl)-4,5-dimethoxyphenyl]-1H-pyrazol-5-amine.
What is the SMILES notation for 4-[3-(1-fluoroethyl)-4,5-dimethoxyphenyl]-1H-pyrazol-5-amine?
The canonical SMILES for 4-[3-(1-fluoroethyl)-4,5-dimethoxyphenyl]-1H-pyrazol-5-amine is COc1cc(-c2cn[nH]c2N)cc(C(C)F)c1OC.
What is the InChIKey of 4-[3-(1-fluoroethyl)-4,5-dimethoxyphenyl]-1H-pyrazol-5-amine?
The InChIKey is ZRIIPOWMPUFRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2/c1-7(14)9-4-8(10-6-16-17-13(10)15)5-11(18-2)12(9)19-3/h4-7H,1-3H3,(H3,15,16,17).
What are the key properties of 4-[3-(1-fluoroethyl)-4,5-dimethoxyphenyl]-1H-pyrazol-5-amine?
4-[3-(1-fluoroethyl)-4,5-dimethoxyphenyl]-1H-pyrazol-5-amine has a molecular weight of 265.29 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-fluoroethyl)-4,5-dimethoxyphenyl]-1H-pyrazol-5-amine is sourced from PubChem (CID 117416880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).