N-(4-fluorophenyl)-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide

C21H17FN4O — CID 20936831

IUPACN-(4-fluorophenyl)-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCc1cccc(-n2ncc(C(=O)Nc3ccc(F)cc3)c2-n2cccc2)c1
InChIInChI=1S/C21H17FN4O/c1-15-5-4-6-18(13-15)26-21(25-11-2-3-12-25)19(14-23-26)20(27)24-17-9-7-16(22)8-10-17/h2-14H,1H3,(H,24,27)
InChIKeyCOTVCHMTEXQEAH-UHFFFAOYSA-N
MW360.39 g/mol
LogP4.36
Rot. Bonds4

About N-(4-fluorophenyl)-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide

N-(4-fluorophenyl)-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide (PubChem CID 20936831) has the molecular formula C21H17FN4O and a molecular weight of 360.39 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
PubChem CID20936831
Molecular FormulaC21H17FN4O
Molecular Weight360.39 g/mol
Exact Mass360.14
IUPAC NameN-(4-fluorophenyl)-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCc1cccc(-n2ncc(C(=O)Nc3ccc(F)cc3)c2-n2cccc2)c1
InChIInChI=1S/C21H17FN4O/c1-15-5-4-6-18(13-15)26-21(25-11-2-3-12-25)19(14-23-26)20(27)24-17-9-7-16(22)8-10-17/h2-14H,1H3,(H,24,27)
InChIKeyCOTVCHMTEXQEAH-UHFFFAOYSA-N
XLogP4.36
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-fluorophenyl)-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-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

1-(3-fluorophenyl)-N-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20936933
N-(4-methylphenyl)-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20885984
N-(2-chlorophenyl)-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20936757
N-(2-ethylphenyl)-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20936768
1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxylic acid
CID 46261236
N-(3-acetamidophenyl)-1-(3,5-difluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 51053411
1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 53015687
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 55674420
N-butan-2-yl-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20936756
N-(2-fluorophenyl)-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915281
5-methyl-1-(3-methylphenyl)-N-pyridin-4-ylpyrazole-4-carboxamide
CID 25343532
1-(4-fluorophenyl)-N-[3-(2-methylsulfonylethoxy)phenyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 52838200

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide (CID 20936831) is N-(4-fluorophenyl)-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide is Cc1cccc(-n2ncc(C(=O)Nc3ccc(F)cc3)c2-n2cccc2)c1.
What is the InChIKey of N-(4-fluorophenyl)-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The InChIKey is COTVCHMTEXQEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O/c1-15-5-4-6-18(13-15)26-21(25-11-2-3-12-25)19(14-23-26)20(27)24-17-9-7-16(22)8-10-17/h2-14H,1H3,(H,24,27).
What are the key properties of N-(4-fluorophenyl)-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
N-(4-fluorophenyl)-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide has a molecular weight of 360.39 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 20936831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).