N-(1,3-diphenylpyrazol-5-yl)-3,4-difluorobenzamide

C22H15F2N3O — CID 11222596

IUPACN-(1,3-diphenylpyrazol-5-yl)-3,4-difluorobenzamide
SMILESO=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1ccc(F)c(F)c1
InChIInChI=1S/C22H15F2N3O/c23-18-12-11-16(13-19(18)24)22(28)25-21-14-20(15-7-3-1-4-8-15)26-27(21)17-9-5-2-6-10-17/h1-14H,(H,25,28)
InChIKeyMZLFWWUYWRMFND-UHFFFAOYSA-N
MW375.38 g/mol
LogP5.07
Rot. Bonds4

About N-(1,3-diphenylpyrazol-5-yl)-3,4-difluorobenzamide

N-(1,3-diphenylpyrazol-5-yl)-3,4-difluorobenzamide (PubChem CID 11222596) has the molecular formula C22H15F2N3O and a molecular weight of 375.38 g/mol. Its IUPAC name is N-(1,3-diphenylpyrazol-5-yl)-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-(1,3-diphenylpyrazol-5-yl)-3,4-difluorobenzamide
PubChem CID11222596
Molecular FormulaC22H15F2N3O
Molecular Weight375.38 g/mol
Exact Mass375.12
IUPAC NameN-(1,3-diphenylpyrazol-5-yl)-3,4-difluorobenzamide
SMILESO=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1ccc(F)c(F)c1
InChIInChI=1S/C22H15F2N3O/c23-18-12-11-16(13-19(18)24)22(28)25-21-14-20(15-7-3-1-4-8-15)26-27(21)17-9-5-2-6-10-17/h1-14H,(H,25,28)
InChIKeyMZLFWWUYWRMFND-UHFFFAOYSA-N
XLogP5.07
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.38
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-diphenylpyrazol-5-yl)-3,4-difluorobenzamide?
The IUPAC name of N-(1,3-diphenylpyrazol-5-yl)-3,4-difluorobenzamide (CID 11222596) is N-(1,3-diphenylpyrazol-5-yl)-3,4-difluorobenzamide.
What is the SMILES notation for N-(1,3-diphenylpyrazol-5-yl)-3,4-difluorobenzamide?
The canonical SMILES for N-(1,3-diphenylpyrazol-5-yl)-3,4-difluorobenzamide is O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1ccc(F)c(F)c1.
What is the InChIKey of N-(1,3-diphenylpyrazol-5-yl)-3,4-difluorobenzamide?
The InChIKey is MZLFWWUYWRMFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F2N3O/c23-18-12-11-16(13-19(18)24)22(28)25-21-14-20(15-7-3-1-4-8-15)26-27(21)17-9-5-2-6-10-17/h1-14H,(H,25,28).
What are the key properties of N-(1,3-diphenylpyrazol-5-yl)-3,4-difluorobenzamide?
N-(1,3-diphenylpyrazol-5-yl)-3,4-difluorobenzamide has a molecular weight of 375.38 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-diphenylpyrazol-5-yl)-3,4-difluorobenzamide is sourced from PubChem (CID 11222596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).