3-(4-fluorophenyl)-1-phenyl-N-phenylmethoxypyrazole-4-carboxamide

C23H18FN3O2 — CID 9227318

IUPAC3-(4-fluorophenyl)-1-phenyl-N-phenylmethoxypyrazole-4-carboxamide
SMILESO=C(NOCc1ccccc1)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C23H18FN3O2/c24-19-13-11-18(12-14-19)22-21(15-27(25-22)20-9-5-2-6-10-20)23(28)26-29-16-17-7-3-1-4-8-17/h1-15H,16H2,(H,26,28)
InChIKeyLEHUSVXFBUHXAY-UHFFFAOYSA-N
MW387.41 g/mol
LogP4.54
Rot. Bonds6

About 3-(4-fluorophenyl)-1-phenyl-N-phenylmethoxypyrazole-4-carboxamide

3-(4-fluorophenyl)-1-phenyl-N-phenylmethoxypyrazole-4-carboxamide (PubChem CID 9227318) has the molecular formula C23H18FN3O2 and a molecular weight of 387.41 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-phenyl-N-phenylmethoxypyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-phenyl-N-phenylmethoxypyrazole-4-carboxamide
PubChem CID9227318
Molecular FormulaC23H18FN3O2
Molecular Weight387.41 g/mol
Exact Mass387.14
IUPAC Name3-(4-fluorophenyl)-1-phenyl-N-phenylmethoxypyrazole-4-carboxamide
SMILESO=C(NOCc1ccccc1)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C23H18FN3O2/c24-19-13-11-18(12-14-19)22-21(15-27(25-22)20-9-5-2-6-10-20)23(28)26-29-16-17-7-3-1-4-8-17/h1-15H,16H2,(H,26,28)
InChIKeyLEHUSVXFBUHXAY-UHFFFAOYSA-N
XLogP4.54
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-phenyl-N-phenylmethoxypyrazole-4-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-1-phenyl-N-phenylmethoxypyrazole-4-carboxamide (CID 9227318) is 3-(4-fluorophenyl)-1-phenyl-N-phenylmethoxypyrazole-4-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-1-phenyl-N-phenylmethoxypyrazole-4-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-1-phenyl-N-phenylmethoxypyrazole-4-carboxamide is O=C(NOCc1ccccc1)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-1-phenyl-N-phenylmethoxypyrazole-4-carboxamide?
The InChIKey is LEHUSVXFBUHXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O2/c24-19-13-11-18(12-14-19)22-21(15-27(25-22)20-9-5-2-6-10-20)23(28)26-29-16-17-7-3-1-4-8-17/h1-15H,16H2,(H,26,28).
What are the key properties of 3-(4-fluorophenyl)-1-phenyl-N-phenylmethoxypyrazole-4-carboxamide?
3-(4-fluorophenyl)-1-phenyl-N-phenylmethoxypyrazole-4-carboxamide has a molecular weight of 387.41 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-phenyl-N-phenylmethoxypyrazole-4-carboxamide is sourced from PubChem (CID 9227318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).