3-(4-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]-1-phenylpyrazole-4-carboxamide

C23H18FN3O2 — CID 9162838

IUPAC3-(4-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]-1-phenylpyrazole-4-carboxamide
SMILESO=C(Nc1cccc(CO)c1)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C23H18FN3O2/c24-18-11-9-17(10-12-18)22-21(14-27(26-22)20-7-2-1-3-8-20)23(29)25-19-6-4-5-16(13-19)15-28/h1-14,28H,15H2,(H,25,29)
InChIKeyIMYLGTHYVHVZPW-UHFFFAOYSA-N
MW387.41 g/mol
LogP4.42
Rot. Bonds5

About 3-(4-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]-1-phenylpyrazole-4-carboxamide

3-(4-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]-1-phenylpyrazole-4-carboxamide (PubChem CID 9162838) has the molecular formula C23H18FN3O2 and a molecular weight of 387.41 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]-1-phenylpyrazole-4-carboxamide
PubChem CID9162838
Molecular FormulaC23H18FN3O2
Molecular Weight387.41 g/mol
Exact Mass387.14
IUPAC Name3-(4-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]-1-phenylpyrazole-4-carboxamide
SMILESO=C(Nc1cccc(CO)c1)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C23H18FN3O2/c24-18-11-9-17(10-12-18)22-21(14-27(26-22)20-7-2-1-3-8-20)23(29)25-19-6-4-5-16(13-19)15-28/h1-14,28H,15H2,(H,25,29)
InChIKeyIMYLGTHYVHVZPW-UHFFFAOYSA-N
XLogP4.42
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]-1-phenylpyrazole-4-carboxamide (CID 9162838) is 3-(4-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]-1-phenylpyrazole-4-carboxamide is O=C(Nc1cccc(CO)c1)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is IMYLGTHYVHVZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O2/c24-18-11-9-17(10-12-18)22-21(14-27(26-22)20-7-2-1-3-8-20)23(29)25-19-6-4-5-16(13-19)15-28/h1-14,28H,15H2,(H,25,29).
What are the key properties of 3-(4-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]-1-phenylpyrazole-4-carboxamide?
3-(4-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 387.41 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 9162838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).