4-ethoxy-1-(4-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]pyrazole-3-carboxamide

C20H19F2N3O2 — CID 42109745

IUPAC4-ethoxy-1-(4-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]pyrazole-3-carboxamide
SMILESCCOc1cn(-c2ccc(F)cc2)nc1C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C20H19F2N3O2/c1-2-27-18-13-25(17-9-7-16(22)8-10-17)24-19(18)20(26)23-12-11-14-3-5-15(21)6-4-14/h3-10,13H,2,11-12H2,1H3,(H,23,26)
InChIKeyPKQJHAMESIFLGQ-UHFFFAOYSA-N
MW371.39 g/mol
LogP3.52
Rot. Bonds7

About 4-ethoxy-1-(4-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]pyrazole-3-carboxamide

4-ethoxy-1-(4-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]pyrazole-3-carboxamide (PubChem CID 42109745) has the molecular formula C20H19F2N3O2 and a molecular weight of 371.39 g/mol. Its IUPAC name is 4-ethoxy-1-(4-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-ethoxy-1-(4-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]pyrazole-3-carboxamide
PubChem CID42109745
Molecular FormulaC20H19F2N3O2
Molecular Weight371.39 g/mol
Exact Mass371.14
IUPAC Name4-ethoxy-1-(4-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]pyrazole-3-carboxamide
SMILESCCOc1cn(-c2ccc(F)cc2)nc1C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C20H19F2N3O2/c1-2-27-18-13-25(17-9-7-16(22)8-10-17)24-19(18)20(26)23-12-11-14-3-5-15(21)6-4-14/h3-10,13H,2,11-12H2,1H3,(H,23,26)
InChIKeyPKQJHAMESIFLGQ-UHFFFAOYSA-N
XLogP3.52
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-4-ethoxy-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 42109714
N-cyclopentyl-4-ethoxy-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 45283984
4-ethoxy-1-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
CID 30851412
1-(4-fluorophenyl)-N-(2-methoxyethyl)-4-propoxypyrazole-3-carboxamide
CID 42109759
N-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-4-propoxypyrazole-3-carboxamide
CID 42109762
methyl 4-[[4-ethoxy-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]benzoate
CID 42109731
N-[2-(3,4-diethoxyphenyl)ethyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide
CID 50772964
1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-4-propoxypyrazole-3-carboxamide
CID 42109765
N-(1,3-benzodioxol-5-yl)-4-ethoxy-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 45283989
4-ethoxy-N-[2-(4-fluorophenyl)ethyl]-3-methoxybenzamide
CID 9391807
1-(4-fluorophenyl)-4-(2-methoxyethoxy)pyrazole-3-carboxamide
CID 66610665
3-amino-4-ethoxy-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 82070377

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-(4-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]pyrazole-3-carboxamide?
The IUPAC name of 4-ethoxy-1-(4-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]pyrazole-3-carboxamide (CID 42109745) is 4-ethoxy-1-(4-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-ethoxy-1-(4-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-ethoxy-1-(4-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]pyrazole-3-carboxamide is CCOc1cn(-c2ccc(F)cc2)nc1C(=O)NCCc1ccc(F)cc1.
What is the InChIKey of 4-ethoxy-1-(4-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]pyrazole-3-carboxamide?
The InChIKey is PKQJHAMESIFLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O2/c1-2-27-18-13-25(17-9-7-16(22)8-10-17)24-19(18)20(26)23-12-11-14-3-5-15(21)6-4-14/h3-10,13H,2,11-12H2,1H3,(H,23,26).
What are the key properties of 4-ethoxy-1-(4-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]pyrazole-3-carboxamide?
4-ethoxy-1-(4-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]pyrazole-3-carboxamide has a molecular weight of 371.39 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-(4-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 42109745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).