N-(2,5-difluorophenyl)-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide

C20H13F3N4O — CID 43059423

IUPACN-(2,5-difluorophenyl)-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESO=C(Nc1cc(F)ccc1F)c1cnn(-c2ccccc2F)c1-n1cccc1
InChIInChI=1S/C20H13F3N4O/c21-13-7-8-15(22)17(11-13)25-19(28)14-12-24-27(18-6-2-1-5-16(18)23)20(14)26-9-3-4-10-26/h1-12H,(H,25,28)
InChIKeyNOYKRGZICGGHMS-UHFFFAOYSA-N
MW382.35 g/mol
LogP4.33
Rot. Bonds4

About N-(2,5-difluorophenyl)-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide

N-(2,5-difluorophenyl)-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide (PubChem CID 43059423) has the molecular formula C20H13F3N4O and a molecular weight of 382.35 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
PubChem CID43059423
Molecular FormulaC20H13F3N4O
Molecular Weight382.35 g/mol
Exact Mass382.10
IUPAC NameN-(2,5-difluorophenyl)-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESO=C(Nc1cc(F)ccc1F)c1cnn(-c2ccccc2F)c1-n1cccc1
InChIInChI=1S/C20H13F3N4O/c21-13-7-8-15(22)17(11-13)25-19(28)14-12-24-27(18-6-2-1-5-16(18)23)20(14)26-9-3-4-10-26/h1-12H,(H,25,28)
InChIKeyNOYKRGZICGGHMS-UHFFFAOYSA-N
XLogP4.33
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.35
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluorophenyl)-N-(2-iodophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 43059370
N-(2-fluorophenyl)-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915281
1-(2-fluorophenyl)-N-pyridin-4-yl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 39954053
1-(2-fluorophenyl)-N-(2-methyl-5-methylsulfonylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 39626083
N-benzyl-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 46585795
1-(2-fluorophenyl)-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 167973002
1-(2,4-difluorophenyl)-N-pyridin-3-yl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 51052884
1-(2-fluorophenyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 55580000
2-[[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]amino]-1,3-thiazole-5-carboxamide
CID 78852050
1-(2-fluorophenyl)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 60573932
1-(2-fluorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 37438178
1-(2,4-difluorophenyl)-N-(3-methyl-2-pyridinyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 51055137

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The IUPAC name of N-(2,5-difluorophenyl)-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide (CID 43059423) is N-(2,5-difluorophenyl)-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(2,5-difluorophenyl)-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide is O=C(Nc1cc(F)ccc1F)c1cnn(-c2ccccc2F)c1-n1cccc1.
What is the InChIKey of N-(2,5-difluorophenyl)-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The InChIKey is NOYKRGZICGGHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N4O/c21-13-7-8-15(22)17(11-13)25-19(28)14-12-24-27(18-6-2-1-5-16(18)23)20(14)26-9-3-4-10-26/h1-12H,(H,25,28).
What are the key properties of N-(2,5-difluorophenyl)-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
N-(2,5-difluorophenyl)-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide has a molecular weight of 382.35 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 43059423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).