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

C21H17FN4O — CID 46585795

IUPACN-benzyl-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESO=C(NCc1ccccc1)c1cnn(-c2ccccc2F)c1-n1cccc1
InChIInChI=1S/C21H17FN4O/c22-18-10-4-5-11-19(18)26-21(25-12-6-7-13-25)17(15-24-26)20(27)23-14-16-8-2-1-3-9-16/h1-13,15H,14H2,(H,23,27)
InChIKeyXFSSYDKKUSVJCS-UHFFFAOYSA-N
MW360.39 g/mol
LogP3.73
Rot. Bonds5

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

N-benzyl-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide (PubChem CID 46585795) has the molecular formula C21H17FN4O and a molecular weight of 360.39 g/mol. Its IUPAC name is N-benzyl-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
PubChem CID46585795
Molecular FormulaC21H17FN4O
Molecular Weight360.39 g/mol
Exact Mass360.14
IUPAC NameN-benzyl-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESO=C(NCc1ccccc1)c1cnn(-c2ccccc2F)c1-n1cccc1
InChIInChI=1S/C21H17FN4O/c22-18-10-4-5-11-19(18)26-21(25-12-6-7-13-25)17(15-24-26)20(27)23-14-16-8-2-1-3-9-16/h1-13,15H,14H2,(H,23,27)
InChIKeyXFSSYDKKUSVJCS-UHFFFAOYSA-N
XLogP3.73
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluorophenyl)-5-pyrrol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide
CID 39628848
N-(cyclobutylmethyl)-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 33383595
methyl 4-[[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]amino]butanoate
CID 39642778
N-[2-(tert-butylamino)-2-oxoethyl]-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 39638732
N-[(1-ethylbenzimidazol-2-yl)methyl]-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 55583201
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 55964680
1-(2-fluorophenyl)-N-(2-iodophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 43059370
1-(2-fluorophenyl)-N-pyridin-4-yl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 39954053
N-(2,5-difluorophenyl)-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 43059423
1-(4-fluorophenyl)-N-(3-phenylpropyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915284
N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 33093022
1-(2-fluorophenyl)-N-(3-methoxypropyl)-N-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 47081624

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The IUPAC name of N-benzyl-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide (CID 46585795) is N-benzyl-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-benzyl-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The canonical SMILES for N-benzyl-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide is O=C(NCc1ccccc1)c1cnn(-c2ccccc2F)c1-n1cccc1.
What is the InChIKey of N-benzyl-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The InChIKey is XFSSYDKKUSVJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O/c22-18-10-4-5-11-19(18)26-21(25-12-6-7-13-25)17(15-24-26)20(27)23-14-16-8-2-1-3-9-16/h1-13,15H,14H2,(H,23,27).
What are the key properties of N-benzyl-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
N-benzyl-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide has a molecular weight of 360.39 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 46585795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).