5-(3,4-difluorophenyl)-1-ethyl-N-(4-methylphenyl)pyrazole-3-carboxamide

C19H17F2N3O — CID 46104896

IUPAC5-(3,4-difluorophenyl)-1-ethyl-N-(4-methylphenyl)pyrazole-3-carboxamide
SMILESCCn1nc(C(=O)Nc2ccc(C)cc2)cc1-c1ccc(F)c(F)c1
InChIInChI=1S/C19H17F2N3O/c1-3-24-18(13-6-9-15(20)16(21)10-13)11-17(23-24)19(25)22-14-7-4-12(2)5-8-14/h4-11H,3H2,1-2H3,(H,22,25)
InChIKeyZISJYVIKADKNLB-UHFFFAOYSA-N
MW341.36 g/mol
LogP4.41
Rot. Bonds4

About 5-(3,4-difluorophenyl)-1-ethyl-N-(4-methylphenyl)pyrazole-3-carboxamide

5-(3,4-difluorophenyl)-1-ethyl-N-(4-methylphenyl)pyrazole-3-carboxamide (PubChem CID 46104896) has the molecular formula C19H17F2N3O and a molecular weight of 341.36 g/mol. Its IUPAC name is 5-(3,4-difluorophenyl)-1-ethyl-N-(4-methylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(3,4-difluorophenyl)-1-ethyl-N-(4-methylphenyl)pyrazole-3-carboxamide
PubChem CID46104896
Molecular FormulaC19H17F2N3O
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name5-(3,4-difluorophenyl)-1-ethyl-N-(4-methylphenyl)pyrazole-3-carboxamide
SMILESCCn1nc(C(=O)Nc2ccc(C)cc2)cc1-c1ccc(F)c(F)c1
InChIInChI=1S/C19H17F2N3O/c1-3-24-18(13-6-9-15(20)16(21)10-13)11-17(23-24)19(25)22-14-7-4-12(2)5-8-14/h4-11H,3H2,1-2H3,(H,22,25)
InChIKeyZISJYVIKADKNLB-UHFFFAOYSA-N
XLogP4.41
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(3,4-difluorophenyl)-1-ethyl-N-(4-methylphenyl)pyrazole-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

5-(5-chlorothiophen-2-yl)-N-(3,4-difluorophenyl)-1-ethylpyrazole-3-carboxamide
CID 46104522
N-(3,4-difluorophenyl)-1-ethyl-5-(2-methoxyphenyl)pyrazole-3-carboxamide
CID 42879037
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-5-(3,4-difluorophenyl)-1-ethylpyrazole-3-carboxamide
CID 98639545
1-ethyl-5-(4-fluorophenyl)pyrazole-3-carbohydrazide
CID 91871685
1-[3-(3,4-difluoroanilino)-3-oxopropyl]-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 53065999
5-(3-fluorophenyl)-1-methyl-N-(4-methylphenyl)pyrazole-3-carboxamide
CID 42879083
N-(3-chlorophenyl)-5-(3,4-difluorophenyl)-1-methylpyrazole-3-carboxamide
CID 42879099
5-(4-bromophenyl)-1-ethylpyrazole-3-carbohydrazide
CID 91872233
5-(4-fluoro-3-methylphenyl)-1-methyl-N-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 110299644
5-(2,5-dimethylthiophen-3-yl)-1-ethyl-N-(3-fluorophenyl)pyrazole-3-carboxamide
CID 42878929
methyl 4-[(1-ethyl-5-methylpyrazole-3-carbonyl)amino]benzoate
CID 110681771
1-methyl-3-N,5-N-bis(4-methylphenyl)pyrazole-3,5-dicarboxamide
CID 679026

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluorophenyl)-1-ethyl-N-(4-methylphenyl)pyrazole-3-carboxamide?
The IUPAC name of 5-(3,4-difluorophenyl)-1-ethyl-N-(4-methylphenyl)pyrazole-3-carboxamide (CID 46104896) is 5-(3,4-difluorophenyl)-1-ethyl-N-(4-methylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-(3,4-difluorophenyl)-1-ethyl-N-(4-methylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 5-(3,4-difluorophenyl)-1-ethyl-N-(4-methylphenyl)pyrazole-3-carboxamide is CCn1nc(C(=O)Nc2ccc(C)cc2)cc1-c1ccc(F)c(F)c1.
What is the InChIKey of 5-(3,4-difluorophenyl)-1-ethyl-N-(4-methylphenyl)pyrazole-3-carboxamide?
The InChIKey is ZISJYVIKADKNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O/c1-3-24-18(13-6-9-15(20)16(21)10-13)11-17(23-24)19(25)22-14-7-4-12(2)5-8-14/h4-11H,3H2,1-2H3,(H,22,25).
What are the key properties of 5-(3,4-difluorophenyl)-1-ethyl-N-(4-methylphenyl)pyrazole-3-carboxamide?
5-(3,4-difluorophenyl)-1-ethyl-N-(4-methylphenyl)pyrazole-3-carboxamide has a molecular weight of 341.36 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluorophenyl)-1-ethyl-N-(4-methylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 46104896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).