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

C23H21FN4O — CID 20915284

IUPAC1-(4-fluorophenyl)-N-(3-phenylpropyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESO=C(NCCCc1ccccc1)c1cnn(-c2ccc(F)cc2)c1-n1cccc1
InChIInChI=1S/C23H21FN4O/c24-19-10-12-20(13-11-19)28-23(27-15-4-5-16-27)21(17-26-28)22(29)25-14-6-9-18-7-2-1-3-8-18/h1-5,7-8,10-13,15-17H,6,9,14H2,(H,25,29)
InChIKeyPDCSOGAZDBLMOK-UHFFFAOYSA-N
MW388.45 g/mol
LogP4.16
Rot. Bonds7

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

1-(4-fluorophenyl)-N-(3-phenylpropyl)-5-pyrrol-1-ylpyrazole-4-carboxamide (PubChem CID 20915284) has the molecular formula C23H21FN4O and a molecular weight of 388.45 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(3-phenylpropyl)-5-pyrrol-1-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(3-phenylpropyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
PubChem CID20915284
Molecular FormulaC23H21FN4O
Molecular Weight388.45 g/mol
Exact Mass388.17
IUPAC Name1-(4-fluorophenyl)-N-(3-phenylpropyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESO=C(NCCCc1ccccc1)c1cnn(-c2ccc(F)cc2)c1-n1cccc1
InChIInChI=1S/C23H21FN4O/c24-19-10-12-20(13-11-19)28-23(27-15-4-5-16-27)21(17-26-28)22(29)25-14-6-9-18-7-2-1-3-8-18/h1-5,7-8,10-13,15-17H,6,9,14H2,(H,25,29)
InChIKeyPDCSOGAZDBLMOK-UHFFFAOYSA-N
XLogP4.16
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915300
1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 86923114
1-(4-fluorophenyl)-N-phenylmethoxy-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 32581409
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915312
1-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915361
1-(4-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915331
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915321
N-(2-fluorophenyl)-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915281
N-benzyl-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 46585795
N-[2-(dimethylamino)ethyl]-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20892553
2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-(3-phenylpropyl)quinoline-4-carboxamide
CID 46323420
N-[3-[butyl(methyl)amino]propyl]-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20892610

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(3-phenylpropyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(3-phenylpropyl)-5-pyrrol-1-ylpyrazole-4-carboxamide (CID 20915284) is 1-(4-fluorophenyl)-N-(3-phenylpropyl)-5-pyrrol-1-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(3-phenylpropyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(3-phenylpropyl)-5-pyrrol-1-ylpyrazole-4-carboxamide is O=C(NCCCc1ccccc1)c1cnn(-c2ccc(F)cc2)c1-n1cccc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(3-phenylpropyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The InChIKey is PDCSOGAZDBLMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O/c24-19-10-12-20(13-11-19)28-23(27-15-4-5-16-27)21(17-26-28)22(29)25-14-6-9-18-7-2-1-3-8-18/h1-5,7-8,10-13,15-17H,6,9,14H2,(H,25,29).
What are the key properties of 1-(4-fluorophenyl)-N-(3-phenylpropyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
1-(4-fluorophenyl)-N-(3-phenylpropyl)-5-pyrrol-1-ylpyrazole-4-carboxamide has a molecular weight of 388.45 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(3-phenylpropyl)-5-pyrrol-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 20915284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).