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

C20H14F2N4O — CID 20915281

IUPACN-(2-fluorophenyl)-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESO=C(Nc1ccccc1F)c1cnn(-c2ccc(F)cc2)c1-n1cccc1
InChIInChI=1S/C20H14F2N4O/c21-14-7-9-15(10-8-14)26-20(25-11-3-4-12-25)16(13-23-26)19(27)24-18-6-2-1-5-17(18)22/h1-13H,(H,24,27)
InChIKeyRLSRKYQVFDXFOU-UHFFFAOYSA-N
MW364.36 g/mol
LogP4.19
Rot. Bonds4

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

N-(2-fluorophenyl)-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide (PubChem CID 20915281) has the molecular formula C20H14F2N4O and a molecular weight of 364.36 g/mol. Its IUPAC name is N-(2-fluorophenyl)-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
PubChem CID20915281
Molecular FormulaC20H14F2N4O
Molecular Weight364.36 g/mol
Exact Mass364.11
IUPAC NameN-(2-fluorophenyl)-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESO=C(Nc1ccccc1F)c1cnn(-c2ccc(F)cc2)c1-n1cccc1
InChIInChI=1S/C20H14F2N4O/c21-14-7-9-15(10-8-14)26-20(25-11-3-4-12-25)16(13-23-26)19(27)24-18-6-2-1-5-17(18)22/h1-13H,(H,24,27)
InChIKeyRLSRKYQVFDXFOU-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-(2,5-difluorophenyl)-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 43059423
1-(2-fluorophenyl)-N-(2-iodophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 43059370
N-(2-bromophenyl)-1-(3-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20936864
1-(4-fluorophenyl)-N-(3-phenylpropyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915284
N-butyl-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915300
1-(3-fluorophenyl)-N-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20936933
1-(4-fluorophenyl)-N-phenylmethoxy-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 32581409
N-[(2S)-butan-2-yl]-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 26745598
N-(4-fluorophenyl)-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20936831
N-(2,4-dimethylphenyl)-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915052
1-(4-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915331
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 55674420

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide (CID 20915281) is N-(2-fluorophenyl)-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide is O=C(Nc1ccccc1F)c1cnn(-c2ccc(F)cc2)c1-n1cccc1.
What is the InChIKey of N-(2-fluorophenyl)-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The InChIKey is RLSRKYQVFDXFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N4O/c21-14-7-9-15(10-8-14)26-20(25-11-3-4-12-25)16(13-23-26)19(27)24-18-6-2-1-5-17(18)22/h1-13H,(H,24,27).
What are the key properties of N-(2-fluorophenyl)-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
N-(2-fluorophenyl)-1-(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 N-(2-fluorophenyl)-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 20915281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).