2-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-fluorobenzamide

C20H20FN3O3 — CID 67194535

IUPAC2-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-fluorobenzamide
SMILESCOc1cc(CCc2cc(-c3cc(F)ccc3C(N)=O)n[nH]2)cc(OC)c1
InChIInChI=1S/C20H20FN3O3/c1-26-15-7-12(8-16(11-15)27-2)3-5-14-10-19(24-23-14)18-9-13(21)4-6-17(18)20(22)25/h4,6-11H,3,5H2,1-2H3,(H2,22,25)(H,23,24)
InChIKeyJZUXJBMUPMMNGH-UHFFFAOYSA-N
MW369.40 g/mol
LogP3.12
Rot. Bonds7

About 2-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-fluorobenzamide

2-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-fluorobenzamide (PubChem CID 67194535) has the molecular formula C20H20FN3O3 and a molecular weight of 369.40 g/mol. Its IUPAC name is 2-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-fluorobenzamide.

Molecular Properties

Compound Name2-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-fluorobenzamide
PubChem CID67194535
Molecular FormulaC20H20FN3O3
Molecular Weight369.40 g/mol
Exact Mass369.15
IUPAC Name2-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-fluorobenzamide
SMILESCOc1cc(CCc2cc(-c3cc(F)ccc3C(N)=O)n[nH]2)cc(OC)c1
InChIInChI=1S/C20H20FN3O3/c1-26-15-7-12(8-16(11-15)27-2)3-5-14-10-19(24-23-14)18-9-13(21)4-6-17(18)20(22)25/h4,6-11H,3,5H2,1-2H3,(H2,22,25)(H,23,24)
InChIKeyJZUXJBMUPMMNGH-UHFFFAOYSA-N
XLogP3.12
TPSA90.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-fluorobenzamide?
The IUPAC name of 2-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-fluorobenzamide (CID 67194535) is 2-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-fluorobenzamide.
What is the SMILES notation for 2-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-fluorobenzamide?
The canonical SMILES for 2-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-fluorobenzamide is COc1cc(CCc2cc(-c3cc(F)ccc3C(N)=O)n[nH]2)cc(OC)c1.
What is the InChIKey of 2-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-fluorobenzamide?
The InChIKey is JZUXJBMUPMMNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3/c1-26-15-7-12(8-16(11-15)27-2)3-5-14-10-19(24-23-14)18-9-13(21)4-6-17(18)20(22)25/h4,6-11H,3,5H2,1-2H3,(H2,22,25)(H,23,24).
What are the key properties of 2-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-fluorobenzamide?
2-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-fluorobenzamide has a molecular weight of 369.40 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-fluorobenzamide is sourced from PubChem (CID 67194535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).