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

C20H19FN6O — CID 86923114

IUPAC1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESO=C(NCCCn1ccnc1)c1cnn(-c2ccc(F)cc2)c1-n1cccc1
InChIInChI=1S/C20H19FN6O/c21-16-4-6-17(7-5-16)27-20(26-11-1-2-12-26)18(14-24-27)19(28)23-8-3-10-25-13-9-22-15-25/h1-2,4-7,9,11-15H,3,8,10H2,(H,23,28)
InChIKeyZFYTYBBEEVJZDN-UHFFFAOYSA-N
MW378.41 g/mol
LogP2.82
Rot. Bonds7

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

1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-5-pyrrol-1-ylpyrazole-4-carboxamide (PubChem CID 86923114) has the molecular formula C20H19FN6O and a molecular weight of 378.41 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-5-pyrrol-1-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
PubChem CID86923114
Molecular FormulaC20H19FN6O
Molecular Weight378.41 g/mol
Exact Mass378.16
IUPAC Name1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESO=C(NCCCn1ccnc1)c1cnn(-c2ccc(F)cc2)c1-n1cccc1
InChIInChI=1S/C20H19FN6O/c21-16-4-6-17(7-5-16)27-20(26-11-1-2-12-26)18(14-24-27)19(28)23-8-3-10-25-13-9-22-15-25/h1-2,4-7,9,11-15H,3,8,10H2,(H,23,28)
InChIKeyZFYTYBBEEVJZDN-UHFFFAOYSA-N
XLogP2.82
TPSA69.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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
N-(3-imidazol-1-ylpropyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 47028243
1-(4-fluorophenyl)-N-(3-phenylpropyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915284
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
4-fluoro-N-(3-imidazol-1-ylpropyl)benzamide chloride
CID 53351812
2,3-difluoro-N-(3-imidazol-1-ylpropyl)benzamide
CID 62649023
2-[(4-fluorophenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)benzamide
CID 3615178
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
2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide
CID 29432371
N-[(2S)-butan-2-yl]-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 26745598

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-5-pyrrol-1-ylpyrazole-4-carboxamide (CID 86923114) is 1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-5-pyrrol-1-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-5-pyrrol-1-ylpyrazole-4-carboxamide is O=C(NCCCn1ccnc1)c1cnn(-c2ccc(F)cc2)c1-n1cccc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The InChIKey is ZFYTYBBEEVJZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6O/c21-16-4-6-17(7-5-16)27-20(26-11-1-2-12-26)18(14-24-27)19(28)23-8-3-10-25-13-9-22-15-25/h1-2,4-7,9,11-15H,3,8,10H2,(H,23,28).
What are the key properties of 1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-5-pyrrol-1-ylpyrazole-4-carboxamide has a molecular weight of 378.41 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-5-pyrrol-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 86923114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).