3-[2-(4-fluorophenoxy)ethoxy]-1-methyl-4-(4-methylphenyl)pyrazol-5-amine

C19H20FN3O2 — CID 23400312

IUPAC3-[2-(4-fluorophenoxy)ethoxy]-1-methyl-4-(4-methylphenyl)pyrazol-5-amine
SMILESCc1ccc(-c2c(OCCOc3ccc(F)cc3)nn(C)c2N)cc1
InChIInChI=1S/C19H20FN3O2/c1-13-3-5-14(6-4-13)17-18(21)23(2)22-19(17)25-12-11-24-16-9-7-15(20)8-10-16/h3-10H,11-12,21H2,1-2H3
InChIKeyQPMRXOGDMYTNIZ-UHFFFAOYSA-N
MW341.39 g/mol
LogP3.57
Rot. Bonds6

About 3-[2-(4-fluorophenoxy)ethoxy]-1-methyl-4-(4-methylphenyl)pyrazol-5-amine

3-[2-(4-fluorophenoxy)ethoxy]-1-methyl-4-(4-methylphenyl)pyrazol-5-amine (PubChem CID 23400312) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is 3-[2-(4-fluorophenoxy)ethoxy]-1-methyl-4-(4-methylphenyl)pyrazol-5-amine.

Molecular Properties

Compound Name3-[2-(4-fluorophenoxy)ethoxy]-1-methyl-4-(4-methylphenyl)pyrazol-5-amine
PubChem CID23400312
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Name3-[2-(4-fluorophenoxy)ethoxy]-1-methyl-4-(4-methylphenyl)pyrazol-5-amine
SMILESCc1ccc(-c2c(OCCOc3ccc(F)cc3)nn(C)c2N)cc1
InChIInChI=1S/C19H20FN3O2/c1-13-3-5-14(6-4-13)17-18(21)23(2)22-19(17)25-12-11-24-16-9-7-15(20)8-10-16/h3-10H,11-12,21H2,1-2H3
InChIKeyQPMRXOGDMYTNIZ-UHFFFAOYSA-N
XLogP3.57
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenoxy)ethoxy]-1-methyl-4-(4-methylphenyl)pyrazol-5-amine?
The IUPAC name of 3-[2-(4-fluorophenoxy)ethoxy]-1-methyl-4-(4-methylphenyl)pyrazol-5-amine (CID 23400312) is 3-[2-(4-fluorophenoxy)ethoxy]-1-methyl-4-(4-methylphenyl)pyrazol-5-amine.
What is the SMILES notation for 3-[2-(4-fluorophenoxy)ethoxy]-1-methyl-4-(4-methylphenyl)pyrazol-5-amine?
The canonical SMILES for 3-[2-(4-fluorophenoxy)ethoxy]-1-methyl-4-(4-methylphenyl)pyrazol-5-amine is Cc1ccc(-c2c(OCCOc3ccc(F)cc3)nn(C)c2N)cc1.
What is the InChIKey of 3-[2-(4-fluorophenoxy)ethoxy]-1-methyl-4-(4-methylphenyl)pyrazol-5-amine?
The InChIKey is QPMRXOGDMYTNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2/c1-13-3-5-14(6-4-13)17-18(21)23(2)22-19(17)25-12-11-24-16-9-7-15(20)8-10-16/h3-10H,11-12,21H2,1-2H3.
What are the key properties of 3-[2-(4-fluorophenoxy)ethoxy]-1-methyl-4-(4-methylphenyl)pyrazol-5-amine?
3-[2-(4-fluorophenoxy)ethoxy]-1-methyl-4-(4-methylphenyl)pyrazol-5-amine has a molecular weight of 341.39 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenoxy)ethoxy]-1-methyl-4-(4-methylphenyl)pyrazol-5-amine is sourced from PubChem (CID 23400312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).