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

C18H19FN4O — CID 20915300

IUPACN-butyl-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCCCCNC(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1
InChIInChI=1S/C18H19FN4O/c1-2-3-10-20-17(24)16-13-21-23(15-8-6-14(19)7-9-15)18(16)22-11-4-5-12-22/h4-9,11-13H,2-3,10H2,1H3,(H,20,24)
InChIKeyPOAMZFQCQSCJOK-UHFFFAOYSA-N
MW326.38 g/mol
LogP3.33
Rot. Bonds6

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

N-butyl-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide (PubChem CID 20915300) has the molecular formula C18H19FN4O and a molecular weight of 326.38 g/mol. Its IUPAC name is N-butyl-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-butyl-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
PubChem CID20915300
Molecular FormulaC18H19FN4O
Molecular Weight326.38 g/mol
Exact Mass326.15
IUPAC NameN-butyl-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCCCCNC(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1
InChIInChI=1S/C18H19FN4O/c1-2-3-10-20-17(24)16-13-21-23(15-8-6-14(19)7-9-15)18(16)22-11-4-5-12-22/h4-9,11-13H,2-3,10H2,1H3,(H,20,24)
InChIKeyPOAMZFQCQSCJOK-UHFFFAOYSA-N
XLogP3.33
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.33
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

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-[2-(4-methylpiperazin-1-yl)ethyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915331
N-[3-[butyl(methyl)amino]propyl]-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20892610
N-butyl-N-ethyl-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 30387025
1-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915361
N-[(2S)-butan-2-yl]-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 26745598
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915321
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915312
N-[2-(dipropylamino)ethyl]-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20914995
N-(2-fluorophenyl)-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915281
1-(4-chlorophenyl)-N-(2-methoxyethyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 30436764

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The IUPAC name of N-butyl-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide (CID 20915300) is N-butyl-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-butyl-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The canonical SMILES for N-butyl-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide is CCCCNC(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1.
What is the InChIKey of N-butyl-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The InChIKey is POAMZFQCQSCJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O/c1-2-3-10-20-17(24)16-13-21-23(15-8-6-14(19)7-9-15)18(16)22-11-4-5-12-22/h4-9,11-13H,2-3,10H2,1H3,(H,20,24).
What are the key properties of N-butyl-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
N-butyl-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide has a molecular weight of 326.38 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 20915300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).