1-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-pyrrol-1-ylpyrazole-4-carboxamide

C21H22FN5O2 — CID 20915361

IUPAC1-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1
InChIInChI=1S/C21H22FN5O2/c22-16-6-8-17(9-7-16)27-21(26-11-1-2-12-26)18(15-24-27)20(29)23-10-4-14-25-13-3-5-19(25)28/h1-2,6-9,11-12,15H,3-5,10,13-14H2,(H,23,29)
InChIKeyLWEQGEZBLJYPDH-UHFFFAOYSA-N
MW395.44 g/mol
LogP2.54
Rot. Bonds7

About 1-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-pyrrol-1-ylpyrazole-4-carboxamide

1-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-pyrrol-1-ylpyrazole-4-carboxamide (PubChem CID 20915361) has the molecular formula C21H22FN5O2 and a molecular weight of 395.44 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-pyrrol-1-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
PubChem CID20915361
Molecular FormulaC21H22FN5O2
Molecular Weight395.44 g/mol
Exact Mass395.18
IUPAC Name1-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1
InChIInChI=1S/C21H22FN5O2/c22-16-6-8-17(9-7-16)27-21(26-11-1-2-12-26)18(15-24-27)20(29)23-10-4-14-25-13-3-5-19(25)28/h1-2,6-9,11-12,15H,3-5,10,13-14H2,(H,23,29)
InChIKeyLWEQGEZBLJYPDH-UHFFFAOYSA-N
XLogP2.54
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 39888789
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915312
N-butyl-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915300
1-(4-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915331
1-(4-fluorophenyl)-N-(3-phenylpropyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915284
1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 86923114
1-(4-fluorophenyl)-N-[(3S)-1-(2-hydroxyethyl)-2-oxopiperidin-3-yl]-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 99787308
N-[(2S)-butan-2-yl]-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 26745598
1-(3-chlorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 30892237
1-(4-fluorophenyl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 55560730
3-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 87051668
2-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]tetrazole-5-carboxamide
CID 71791436

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-pyrrol-1-ylpyrazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-pyrrol-1-ylpyrazole-4-carboxamide (CID 20915361) is 1-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-pyrrol-1-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-pyrrol-1-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-pyrrol-1-ylpyrazole-4-carboxamide is O=C(NCCCN1CCCC1=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-pyrrol-1-ylpyrazole-4-carboxamide?
The InChIKey is LWEQGEZBLJYPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O2/c22-16-6-8-17(9-7-16)27-21(26-11-1-2-12-26)18(15-24-27)20(29)23-10-4-14-25-13-3-5-19(25)28/h1-2,6-9,11-12,15H,3-5,10,13-14H2,(H,23,29).
What are the key properties of 1-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-pyrrol-1-ylpyrazole-4-carboxamide?
1-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-pyrrol-1-ylpyrazole-4-carboxamide has a molecular weight of 395.44 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-pyrrol-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 20915361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).