4-(3,4-dimethoxyphenyl)-N-[1-(2-fluorophenyl)ethyl]-1-phenylpyrazole-3-carboxamide

C26H24FN3O3 — CID 24594799

IUPAC4-(3,4-dimethoxyphenyl)-N-[1-(2-fluorophenyl)ethyl]-1-phenylpyrazole-3-carboxamide
SMILESCOc1ccc(-c2cn(-c3ccccc3)nc2C(=O)NC(C)c2ccccc2F)cc1OC
InChIInChI=1S/C26H24FN3O3/c1-17(20-11-7-8-12-22(20)27)28-26(31)25-21(16-30(29-25)19-9-5-4-6-10-19)18-13-14-23(32-2)24(15-18)33-3/h4-17H,1-3H3,(H,28,31)
InChIKeyZNKXBVCIKSZVLF-UHFFFAOYSA-N
MW445.49 g/mol
LogP5.19
Rot. Bonds7

About 4-(3,4-dimethoxyphenyl)-N-[1-(2-fluorophenyl)ethyl]-1-phenylpyrazole-3-carboxamide

4-(3,4-dimethoxyphenyl)-N-[1-(2-fluorophenyl)ethyl]-1-phenylpyrazole-3-carboxamide (PubChem CID 24594799) has the molecular formula C26H24FN3O3 and a molecular weight of 445.49 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-N-[1-(2-fluorophenyl)ethyl]-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-N-[1-(2-fluorophenyl)ethyl]-1-phenylpyrazole-3-carboxamide
PubChem CID24594799
Molecular FormulaC26H24FN3O3
Molecular Weight445.49 g/mol
Exact Mass445.18
IUPAC Name4-(3,4-dimethoxyphenyl)-N-[1-(2-fluorophenyl)ethyl]-1-phenylpyrazole-3-carboxamide
SMILESCOc1ccc(-c2cn(-c3ccccc3)nc2C(=O)NC(C)c2ccccc2F)cc1OC
InChIInChI=1S/C26H24FN3O3/c1-17(20-11-7-8-12-22(20)27)28-26(31)25-21(16-30(29-25)19-9-5-4-6-10-19)18-13-14-23(32-2)24(15-18)33-3/h4-17H,1-3H3,(H,28,31)
InChIKeyZNKXBVCIKSZVLF-UHFFFAOYSA-N
XLogP5.19
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.49
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(3,4-dimethoxyphenyl)-N-[1-(2-fluorophenyl)ethyl]-1-phenylpyrazole-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

4-(3,4-dimethoxyphenyl)-N-[1-(5-methylfuran-2-yl)ethyl]-1-phenylpyrazole-3-carboxamide
CID 55495112
4-(3,4-dimethoxyphenyl)-1-phenyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrazole-3-carboxamide
CID 26238797
4-(3,4-dimethoxyphenyl)-1-phenyl-N-[1-[4-(propanoylamino)phenyl]ethyl]pyrazole-3-carboxamide
CID 46441310
4-(3,4-dimethoxyphenyl)-1-phenylpyrazole-3-carboxylic acid
CID 1478012
4-(3,4-dimethoxyphenyl)-N-[(3,4-dimethoxyphenyl)methyl]-1-phenylpyrazole-3-carboxamide
CID 16594232
4-(3,4-dimethoxyphenyl)-1-phenyl-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-3-carboxamide
CID 24622479
4-(3,4-dimethoxyphenyl)-1-phenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide
CID 16613867
N-[4-(tert-butylcarbamoyl)phenyl]-4-(3,4-dimethoxyphenyl)-1-phenylpyrazole-3-carboxamide
CID 38257122
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-hydroxy-1-phenylpyrazole-3-carboxamide
CID 112798327
4-(3,4-dimethoxyphenyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-phenylpyrazole-3-carboxamide
CID 24597432
4-(3,4-dimethoxyphenyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1-phenylpyrazole-3-carboxamide
CID 55499348
4-(3,4-dimethoxyphenyl)-N-(4-morpholin-4-ylbutyl)-1-phenylpyrazole-3-carboxamide
CID 55847917

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-N-[1-(2-fluorophenyl)ethyl]-1-phenylpyrazole-3-carboxamide?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-N-[1-(2-fluorophenyl)ethyl]-1-phenylpyrazole-3-carboxamide (CID 24594799) is 4-(3,4-dimethoxyphenyl)-N-[1-(2-fluorophenyl)ethyl]-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-N-[1-(2-fluorophenyl)ethyl]-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-N-[1-(2-fluorophenyl)ethyl]-1-phenylpyrazole-3-carboxamide is COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)NC(C)c2ccccc2F)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-N-[1-(2-fluorophenyl)ethyl]-1-phenylpyrazole-3-carboxamide?
The InChIKey is ZNKXBVCIKSZVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O3/c1-17(20-11-7-8-12-22(20)27)28-26(31)25-21(16-30(29-25)19-9-5-4-6-10-19)18-13-14-23(32-2)24(15-18)33-3/h4-17H,1-3H3,(H,28,31).
What are the key properties of 4-(3,4-dimethoxyphenyl)-N-[1-(2-fluorophenyl)ethyl]-1-phenylpyrazole-3-carboxamide?
4-(3,4-dimethoxyphenyl)-N-[1-(2-fluorophenyl)ethyl]-1-phenylpyrazole-3-carboxamide has a molecular weight of 445.49 g/mol, XLogP of 5.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-N-[1-(2-fluorophenyl)ethyl]-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 24594799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).