2,4-difluoro-N-[1-(4-propan-2-ylphenyl)pyrazol-3-yl]benzamide

C19H17F2N3O — CID 46107862

IUPAC2,4-difluoro-N-[1-(4-propan-2-ylphenyl)pyrazol-3-yl]benzamide
SMILESCC(C)c1ccc(-n2ccc(NC(=O)c3ccc(F)cc3F)n2)cc1
InChIInChI=1S/C19H17F2N3O/c1-12(2)13-3-6-15(7-4-13)24-10-9-18(23-24)22-19(25)16-8-5-14(20)11-17(16)21/h3-12H,1-2H3,(H,22,23,25)
InChIKeyQVVYYBQQDUJIGL-UHFFFAOYSA-N
MW341.36 g/mol
LogP4.53
Rot. Bonds4

About 2,4-difluoro-N-[1-(4-propan-2-ylphenyl)pyrazol-3-yl]benzamide

2,4-difluoro-N-[1-(4-propan-2-ylphenyl)pyrazol-3-yl]benzamide (PubChem CID 46107862) has the molecular formula C19H17F2N3O and a molecular weight of 341.36 g/mol. Its IUPAC name is 2,4-difluoro-N-[1-(4-propan-2-ylphenyl)pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[1-(4-propan-2-ylphenyl)pyrazol-3-yl]benzamide
PubChem CID46107862
Molecular FormulaC19H17F2N3O
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name2,4-difluoro-N-[1-(4-propan-2-ylphenyl)pyrazol-3-yl]benzamide
SMILESCC(C)c1ccc(-n2ccc(NC(=O)c3ccc(F)cc3F)n2)cc1
InChIInChI=1S/C19H17F2N3O/c1-12(2)13-3-6-15(7-4-13)24-10-9-18(23-24)22-19(25)16-8-5-14(20)11-17(16)21/h3-12H,1-2H3,(H,22,23,25)
InChIKeyQVVYYBQQDUJIGL-UHFFFAOYSA-N
XLogP4.53
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[1-(4-propan-2-ylphenyl)pyrazol-3-yl]benzamide?
The IUPAC name of 2,4-difluoro-N-[1-(4-propan-2-ylphenyl)pyrazol-3-yl]benzamide (CID 46107862) is 2,4-difluoro-N-[1-(4-propan-2-ylphenyl)pyrazol-3-yl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[1-(4-propan-2-ylphenyl)pyrazol-3-yl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[1-(4-propan-2-ylphenyl)pyrazol-3-yl]benzamide is CC(C)c1ccc(-n2ccc(NC(=O)c3ccc(F)cc3F)n2)cc1.
What is the InChIKey of 2,4-difluoro-N-[1-(4-propan-2-ylphenyl)pyrazol-3-yl]benzamide?
The InChIKey is QVVYYBQQDUJIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O/c1-12(2)13-3-6-15(7-4-13)24-10-9-18(23-24)22-19(25)16-8-5-14(20)11-17(16)21/h3-12H,1-2H3,(H,22,23,25).
What are the key properties of 2,4-difluoro-N-[1-(4-propan-2-ylphenyl)pyrazol-3-yl]benzamide?
2,4-difluoro-N-[1-(4-propan-2-ylphenyl)pyrazol-3-yl]benzamide has a molecular weight of 341.36 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[1-(4-propan-2-ylphenyl)pyrazol-3-yl]benzamide is sourced from PubChem (CID 46107862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).