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

C20H14F2N4O — CID 20936933

IUPAC1-(3-fluorophenyl)-N-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cnn(-c2cccc(F)c2)c1-n1cccc1
InChIInChI=1S/C20H14F2N4O/c21-14-6-8-16(9-7-14)24-19(27)18-13-23-26(17-5-3-4-15(22)12-17)20(18)25-10-1-2-11-25/h1-13H,(H,24,27)
InChIKeyNEBWSBQMNJVXMT-UHFFFAOYSA-N
MW364.36 g/mol
LogP4.19
Rot. Bonds4

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

1-(3-fluorophenyl)-N-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide (PubChem CID 20936933) has the molecular formula C20H14F2N4O and a molecular weight of 364.36 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
PubChem CID20936933
Molecular FormulaC20H14F2N4O
Molecular Weight364.36 g/mol
Exact Mass364.11
IUPAC Name1-(3-fluorophenyl)-N-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cnn(-c2cccc(F)c2)c1-n1cccc1
InChIInChI=1S/C20H14F2N4O/c21-14-6-8-16(9-7-14)24-19(27)18-13-23-26(17-5-3-4-15(22)12-17)20(18)25-10-1-2-11-25/h1-13H,(H,24,27)
InChIKeyNEBWSBQMNJVXMT-UHFFFAOYSA-N
XLogP4.19
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20936831
N-(2-bromophenyl)-1-(3-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20936864
N-(3-acetamidophenyl)-1-(3,5-difluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 51053411
N-cyclopentyl-1-(3-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20936868
N-(4-methylphenyl)-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20885984
N-[(2S)-butan-2-yl]-1-(3-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 40660594
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 55674420
N-(2-fluorophenyl)-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915281
1-(2,4-difluorophenyl)-N-pyridin-3-yl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 51052884
1-(4-fluorophenyl)-N-[3-(2-methylsulfonylethoxy)phenyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 52838200
N-(4-fluorophenyl)-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 31695234
N-(2,5-difluorophenyl)-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 43059423

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The IUPAC name of 1-(3-fluorophenyl)-N-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide (CID 20936933) is 1-(3-fluorophenyl)-N-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide is O=C(Nc1ccc(F)cc1)c1cnn(-c2cccc(F)c2)c1-n1cccc1.
What is the InChIKey of 1-(3-fluorophenyl)-N-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The InChIKey is NEBWSBQMNJVXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N4O/c21-14-6-8-16(9-7-14)24-19(27)18-13-23-26(17-5-3-4-15(22)12-17)20(18)25-10-1-2-11-25/h1-13H,(H,24,27).
What are the key properties of 1-(3-fluorophenyl)-N-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
1-(3-fluorophenyl)-N-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide has a molecular weight of 364.36 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 20936933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).