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

C23H19FN4O — CID 53067752

IUPACN-ethyl-1-(4-fluorophenyl)-N-phenyl-5-pyridin-3-ylpyrazole-3-carboxamide
SMILESCCN(C(=O)c1cc(-c2cccnc2)n(-c2ccc(F)cc2)n1)c1ccccc1
InChIInChI=1S/C23H19FN4O/c1-2-27(19-8-4-3-5-9-19)23(29)21-15-22(17-7-6-14-25-16-17)28(26-21)20-12-10-18(24)11-13-20/h3-16H,2H2,1H3
InChIKeyFOLVSDWNKNVEOR-UHFFFAOYSA-N
MW386.43 g/mol
LogP4.74
Rot. Bonds5

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

N-ethyl-1-(4-fluorophenyl)-N-phenyl-5-pyridin-3-ylpyrazole-3-carboxamide (PubChem CID 53067752) has the molecular formula C23H19FN4O and a molecular weight of 386.43 g/mol. Its IUPAC name is N-ethyl-1-(4-fluorophenyl)-N-phenyl-5-pyridin-3-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(4-fluorophenyl)-N-phenyl-5-pyridin-3-ylpyrazole-3-carboxamide
PubChem CID53067752
Molecular FormulaC23H19FN4O
Molecular Weight386.43 g/mol
Exact Mass386.15
IUPAC NameN-ethyl-1-(4-fluorophenyl)-N-phenyl-5-pyridin-3-ylpyrazole-3-carboxamide
SMILESCCN(C(=O)c1cc(-c2cccnc2)n(-c2ccc(F)cc2)n1)c1ccccc1
InChIInChI=1S/C23H19FN4O/c1-2-27(19-8-4-3-5-9-19)23(29)21-15-22(17-7-6-14-25-16-17)28(26-21)20-12-10-18(24)11-13-20/h3-16H,2H2,1H3
InChIKeyFOLVSDWNKNVEOR-UHFFFAOYSA-N
XLogP4.74
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-fluorophenyl)-N-phenyl-5-pyridin-3-ylpyrazole-3-carboxamide?
The IUPAC name of N-ethyl-1-(4-fluorophenyl)-N-phenyl-5-pyridin-3-ylpyrazole-3-carboxamide (CID 53067752) is N-ethyl-1-(4-fluorophenyl)-N-phenyl-5-pyridin-3-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-ethyl-1-(4-fluorophenyl)-N-phenyl-5-pyridin-3-ylpyrazole-3-carboxamide?
The canonical SMILES for N-ethyl-1-(4-fluorophenyl)-N-phenyl-5-pyridin-3-ylpyrazole-3-carboxamide is CCN(C(=O)c1cc(-c2cccnc2)n(-c2ccc(F)cc2)n1)c1ccccc1.
What is the InChIKey of N-ethyl-1-(4-fluorophenyl)-N-phenyl-5-pyridin-3-ylpyrazole-3-carboxamide?
The InChIKey is FOLVSDWNKNVEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O/c1-2-27(19-8-4-3-5-9-19)23(29)21-15-22(17-7-6-14-25-16-17)28(26-21)20-12-10-18(24)11-13-20/h3-16H,2H2,1H3.
What are the key properties of N-ethyl-1-(4-fluorophenyl)-N-phenyl-5-pyridin-3-ylpyrazole-3-carboxamide?
N-ethyl-1-(4-fluorophenyl)-N-phenyl-5-pyridin-3-ylpyrazole-3-carboxamide has a molecular weight of 386.43 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-fluorophenyl)-N-phenyl-5-pyridin-3-ylpyrazole-3-carboxamide is sourced from PubChem (CID 53067752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).