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

C24H21FN4O — CID 53067767

IUPAC1-(4-fluorophenyl)-N-(3-phenylpropyl)-5-pyridin-3-ylpyrazole-3-carboxamide
SMILESO=C(NCCCc1ccccc1)c1cc(-c2cccnc2)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C24H21FN4O/c25-20-10-12-21(13-11-20)29-23(19-9-5-14-26-17-19)16-22(28-29)24(30)27-15-4-8-18-6-2-1-3-7-18/h1-3,5-7,9-14,16-17H,4,8,15H2,(H,27,30)
InChIKeyVLWYMEQSJGLYTG-UHFFFAOYSA-N
MW400.46 g/mol
LogP4.44
Rot. Bonds7

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

1-(4-fluorophenyl)-N-(3-phenylpropyl)-5-pyridin-3-ylpyrazole-3-carboxamide (PubChem CID 53067767) has the molecular formula C24H21FN4O and a molecular weight of 400.46 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(3-phenylpropyl)-5-pyridin-3-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(3-phenylpropyl)-5-pyridin-3-ylpyrazole-3-carboxamide
PubChem CID53067767
Molecular FormulaC24H21FN4O
Molecular Weight400.46 g/mol
Exact Mass400.17
IUPAC Name1-(4-fluorophenyl)-N-(3-phenylpropyl)-5-pyridin-3-ylpyrazole-3-carboxamide
SMILESO=C(NCCCc1ccccc1)c1cc(-c2cccnc2)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C24H21FN4O/c25-20-10-12-21(13-11-20)29-23(19-9-5-14-26-17-19)16-22(28-29)24(30)27-15-4-8-18-6-2-1-3-7-18/h1-3,5-7,9-14,16-17H,4,8,15H2,(H,27,30)
InChIKeyVLWYMEQSJGLYTG-UHFFFAOYSA-N
XLogP4.44
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 54.44
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-(4-fluorophenyl)-1-phenyl-5-pyridin-3-ylpyrazole-3-carboxamide
CID 53067679
1-(4-fluorophenyl)-N-propan-2-yl-5-pyridin-3-ylpyrazole-3-carboxamide
CID 53067783
N-ethyl-1-(4-fluorophenyl)-N-phenyl-5-pyridin-3-ylpyrazole-3-carboxamide
CID 53067752
1-(4-fluorophenyl)-N-(2-methylphenyl)-5-pyridin-3-ylpyrazole-3-carboxamide
CID 53067775
1-(4-fluorophenyl)-N-(4-methylcyclohexyl)-5-pyridin-3-ylpyrazole-3-carboxamide
CID 53067805
1-(4-fluorophenyl)-6-oxo-N-(2-pyridin-3-ylethyl)pyridazine-3-carboxamide
CID 86979076
1-(2-fluorophenyl)-5-methyl-N-(3-pyridin-3-ylpropyl)pyrazole-3-carboxamide
CID 110409079
1-(4-fluorophenyl)-N-(4-methoxyphenyl)-5-pyridin-3-ylpyrazole-3-carboxamide
CID 53002239
1-(4-fluorophenyl)-N-(6-methyl-2-pyridinyl)-5-pyridin-3-ylpyrazole-3-carboxamide
CID 53067736
N-(4-chloro-2-methylphenyl)-1-(4-fluorophenyl)-5-pyridin-3-ylpyrazole-3-carboxamide
CID 53067744
[1-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-3-yl]-morpholin-4-ylmethanone
CID 53067825
N-(2,6-dimethylphenyl)-1-phenyl-5-pyridin-3-ylpyrazole-3-carboxamide
CID 53067674

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(3-phenylpropyl)-5-pyridin-3-ylpyrazole-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(3-phenylpropyl)-5-pyridin-3-ylpyrazole-3-carboxamide (CID 53067767) is 1-(4-fluorophenyl)-N-(3-phenylpropyl)-5-pyridin-3-ylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(3-phenylpropyl)-5-pyridin-3-ylpyrazole-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(3-phenylpropyl)-5-pyridin-3-ylpyrazole-3-carboxamide is O=C(NCCCc1ccccc1)c1cc(-c2cccnc2)n(-c2ccc(F)cc2)n1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(3-phenylpropyl)-5-pyridin-3-ylpyrazole-3-carboxamide?
The InChIKey is VLWYMEQSJGLYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O/c25-20-10-12-21(13-11-20)29-23(19-9-5-14-26-17-19)16-22(28-29)24(30)27-15-4-8-18-6-2-1-3-7-18/h1-3,5-7,9-14,16-17H,4,8,15H2,(H,27,30).
What are the key properties of 1-(4-fluorophenyl)-N-(3-phenylpropyl)-5-pyridin-3-ylpyrazole-3-carboxamide?
1-(4-fluorophenyl)-N-(3-phenylpropyl)-5-pyridin-3-ylpyrazole-3-carboxamide has a molecular weight of 400.46 g/mol, XLogP of 4.44, 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-pyridin-3-ylpyrazole-3-carboxamide is sourced from PubChem (CID 53067767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).