4-ethoxy-N-(2-ethylphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide

C20H20FN3O2 — CID 42109724

IUPAC4-ethoxy-N-(2-ethylphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide
SMILESCCOc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1ccccc1CC
InChIInChI=1S/C20H20FN3O2/c1-3-14-7-5-6-8-17(14)22-20(25)19-18(26-4-2)13-24(23-19)16-11-9-15(21)10-12-16/h5-13H,3-4H2,1-2H3,(H,22,25)
InChIKeyDGVMKDAQEWAUDH-UHFFFAOYSA-N
MW353.40 g/mol
LogP4.22
Rot. Bonds6

About 4-ethoxy-N-(2-ethylphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide

4-ethoxy-N-(2-ethylphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide (PubChem CID 42109724) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is 4-ethoxy-N-(2-ethylphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-ethoxy-N-(2-ethylphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide
PubChem CID42109724
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC Name4-ethoxy-N-(2-ethylphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide
SMILESCCOc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1ccccc1CC
InChIInChI=1S/C20H20FN3O2/c1-3-14-7-5-6-8-17(14)22-20(25)19-18(26-4-2)13-24(23-19)16-11-9-15(21)10-12-16/h5-13H,3-4H2,1-2H3,(H,22,25)
InChIKeyDGVMKDAQEWAUDH-UHFFFAOYSA-N
XLogP4.22
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(2-ethylphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide?
The IUPAC name of 4-ethoxy-N-(2-ethylphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide (CID 42109724) is 4-ethoxy-N-(2-ethylphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-ethoxy-N-(2-ethylphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-ethoxy-N-(2-ethylphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide is CCOc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1ccccc1CC.
What is the InChIKey of 4-ethoxy-N-(2-ethylphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide?
The InChIKey is DGVMKDAQEWAUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-3-14-7-5-6-8-17(14)22-20(25)19-18(26-4-2)13-24(23-19)16-11-9-15(21)10-12-16/h5-13H,3-4H2,1-2H3,(H,22,25).
What are the key properties of 4-ethoxy-N-(2-ethylphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide?
4-ethoxy-N-(2-ethylphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide has a molecular weight of 353.40 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(2-ethylphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 42109724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).