4-ethyl-5-(4-fluorophenyl)-1-(2-phenylmethoxyethyl)pyrazol-3-amine

C20H22FN3O — CID 134440660

IUPAC4-ethyl-5-(4-fluorophenyl)-1-(2-phenylmethoxyethyl)pyrazol-3-amine
SMILESCCc1c(N)nn(CCOCc2ccccc2)c1-c1ccc(F)cc1
InChIInChI=1S/C20H22FN3O/c1-2-18-19(16-8-10-17(21)11-9-16)24(23-20(18)22)12-13-25-14-15-6-4-3-5-7-15/h3-11H,2,12-14H2,1H3,(H2,22,23)
InChIKeyZUUJACNBNGVMDZ-UHFFFAOYSA-N
MW339.41 g/mol
LogP4.05
Rot. Bonds7

About 4-ethyl-5-(4-fluorophenyl)-1-(2-phenylmethoxyethyl)pyrazol-3-amine

4-ethyl-5-(4-fluorophenyl)-1-(2-phenylmethoxyethyl)pyrazol-3-amine (PubChem CID 134440660) has the molecular formula C20H22FN3O and a molecular weight of 339.41 g/mol. Its IUPAC name is 4-ethyl-5-(4-fluorophenyl)-1-(2-phenylmethoxyethyl)pyrazol-3-amine.

Molecular Properties

Compound Name4-ethyl-5-(4-fluorophenyl)-1-(2-phenylmethoxyethyl)pyrazol-3-amine
PubChem CID134440660
Molecular FormulaC20H22FN3O
Molecular Weight339.41 g/mol
Exact Mass339.17
IUPAC Name4-ethyl-5-(4-fluorophenyl)-1-(2-phenylmethoxyethyl)pyrazol-3-amine
SMILESCCc1c(N)nn(CCOCc2ccccc2)c1-c1ccc(F)cc1
InChIInChI=1S/C20H22FN3O/c1-2-18-19(16-8-10-17(21)11-9-16)24(23-20(18)22)12-13-25-14-15-6-4-3-5-7-15/h3-11H,2,12-14H2,1H3,(H2,22,23)
InChIKeyZUUJACNBNGVMDZ-UHFFFAOYSA-N
XLogP4.05
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 4-ethyl-5-(4-fluorophenyl)-1-(2-phenylmethoxyethyl)pyrazol-3-amine?
The IUPAC name of 4-ethyl-5-(4-fluorophenyl)-1-(2-phenylmethoxyethyl)pyrazol-3-amine (CID 134440660) is 4-ethyl-5-(4-fluorophenyl)-1-(2-phenylmethoxyethyl)pyrazol-3-amine.
What is the SMILES notation for 4-ethyl-5-(4-fluorophenyl)-1-(2-phenylmethoxyethyl)pyrazol-3-amine?
The canonical SMILES for 4-ethyl-5-(4-fluorophenyl)-1-(2-phenylmethoxyethyl)pyrazol-3-amine is CCc1c(N)nn(CCOCc2ccccc2)c1-c1ccc(F)cc1.
What is the InChIKey of 4-ethyl-5-(4-fluorophenyl)-1-(2-phenylmethoxyethyl)pyrazol-3-amine?
The InChIKey is ZUUJACNBNGVMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O/c1-2-18-19(16-8-10-17(21)11-9-16)24(23-20(18)22)12-13-25-14-15-6-4-3-5-7-15/h3-11H,2,12-14H2,1H3,(H2,22,23).
What are the key properties of 4-ethyl-5-(4-fluorophenyl)-1-(2-phenylmethoxyethyl)pyrazol-3-amine?
4-ethyl-5-(4-fluorophenyl)-1-(2-phenylmethoxyethyl)pyrazol-3-amine has a molecular weight of 339.41 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-(4-fluorophenyl)-1-(2-phenylmethoxyethyl)pyrazol-3-amine is sourced from PubChem (CID 134440660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).