N-(3-acetamidophenyl)-1-(3,5-difluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide

C22H17F2N5O2 — CID 51053411

IUPACN-(3-acetamidophenyl)-1-(3,5-difluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2cnn(-c3cc(F)cc(F)c3)c2-n2cccc2)c1
InChIInChI=1S/C22H17F2N5O2/c1-14(30)26-17-5-4-6-18(12-17)27-21(31)20-13-25-29(22(20)28-7-2-3-8-28)19-10-15(23)9-16(24)11-19/h2-13H,1H3,(H,26,30)(H,27,31)
InChIKeyCZXBKHUOOAEJQN-UHFFFAOYSA-N
MW421.41 g/mol
LogP4.15
Rot. Bonds5

About N-(3-acetamidophenyl)-1-(3,5-difluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide

N-(3-acetamidophenyl)-1-(3,5-difluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide (PubChem CID 51053411) has the molecular formula C22H17F2N5O2 and a molecular weight of 421.41 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-1-(3,5-difluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-1-(3,5-difluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
PubChem CID51053411
Molecular FormulaC22H17F2N5O2
Molecular Weight421.41 g/mol
Exact Mass421.14
IUPAC NameN-(3-acetamidophenyl)-1-(3,5-difluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2cnn(-c3cc(F)cc(F)c3)c2-n2cccc2)c1
InChIInChI=1S/C22H17F2N5O2/c1-14(30)26-17-5-4-6-18(12-17)27-21(31)20-13-25-29(22(20)28-7-2-3-8-28)19-10-15(23)9-16(24)11-19/h2-13H,1H3,(H,26,30)(H,27,31)
InChIKeyCZXBKHUOOAEJQN-UHFFFAOYSA-N
XLogP4.15
TPSA80.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.41
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-fluorophenyl)-N-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20936933
N-(4-fluorophenyl)-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20936831
1-(4-fluorophenyl)-N-[3-(2-methylsulfonylethoxy)phenyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 52838200
N-(2-bromophenyl)-1-(3-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20936864
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 55674420
1-(2-fluorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 37438178
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-(2-fluorophenyl)-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915281
N-cyclopentyl-1-(3-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20936868
1-(2,4-difluorophenyl)-N-pyridin-3-yl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 51052884
1-(2-fluorophenyl)-N-pyridin-4-yl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 39954053

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-1-(3,5-difluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-1-(3,5-difluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide (CID 51053411) is N-(3-acetamidophenyl)-1-(3,5-difluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-1-(3,5-difluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-1-(3,5-difluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide is CC(=O)Nc1cccc(NC(=O)c2cnn(-c3cc(F)cc(F)c3)c2-n2cccc2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-1-(3,5-difluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The InChIKey is CZXBKHUOOAEJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2N5O2/c1-14(30)26-17-5-4-6-18(12-17)27-21(31)20-13-25-29(22(20)28-7-2-3-8-28)19-10-15(23)9-16(24)11-19/h2-13H,1H3,(H,26,30)(H,27,31).
What are the key properties of N-(3-acetamidophenyl)-1-(3,5-difluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
N-(3-acetamidophenyl)-1-(3,5-difluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide has a molecular weight of 421.41 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-1-(3,5-difluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 51053411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).