N-[1-(4-cyanophenyl)-5-ethylpyrazol-3-yl]-2,4-difluorobenzamide

C19H14F2N4O — CID 46106892

IUPACN-[1-(4-cyanophenyl)-5-ethylpyrazol-3-yl]-2,4-difluorobenzamide
SMILESCCc1cc(NC(=O)c2ccc(F)cc2F)nn1-c1ccc(C#N)cc1
InChIInChI=1S/C19H14F2N4O/c1-2-14-10-18(23-19(26)16-8-5-13(20)9-17(16)21)24-25(14)15-6-3-12(11-22)4-7-15/h3-10H,2H2,1H3,(H,23,24,26)
InChIKeyPIFGVYWSJKQXKK-UHFFFAOYSA-N
MW352.34 g/mol
LogP3.84
Rot. Bonds4

About N-[1-(4-cyanophenyl)-5-ethylpyrazol-3-yl]-2,4-difluorobenzamide

N-[1-(4-cyanophenyl)-5-ethylpyrazol-3-yl]-2,4-difluorobenzamide (PubChem CID 46106892) has the molecular formula C19H14F2N4O and a molecular weight of 352.34 g/mol. Its IUPAC name is N-[1-(4-cyanophenyl)-5-ethylpyrazol-3-yl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[1-(4-cyanophenyl)-5-ethylpyrazol-3-yl]-2,4-difluorobenzamide
PubChem CID46106892
Molecular FormulaC19H14F2N4O
Molecular Weight352.34 g/mol
Exact Mass352.11
IUPAC NameN-[1-(4-cyanophenyl)-5-ethylpyrazol-3-yl]-2,4-difluorobenzamide
SMILESCCc1cc(NC(=O)c2ccc(F)cc2F)nn1-c1ccc(C#N)cc1
InChIInChI=1S/C19H14F2N4O/c1-2-14-10-18(23-19(26)16-8-5-13(20)9-17(16)21)24-25(14)15-6-3-12(11-22)4-7-15/h3-10H,2H2,1H3,(H,23,24,26)
InChIKeyPIFGVYWSJKQXKK-UHFFFAOYSA-N
XLogP3.84
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.34
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyanophenyl)-5-ethylpyrazol-3-yl]-2,4-difluorobenzamide?
The IUPAC name of N-[1-(4-cyanophenyl)-5-ethylpyrazol-3-yl]-2,4-difluorobenzamide (CID 46106892) is N-[1-(4-cyanophenyl)-5-ethylpyrazol-3-yl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[1-(4-cyanophenyl)-5-ethylpyrazol-3-yl]-2,4-difluorobenzamide?
The canonical SMILES for N-[1-(4-cyanophenyl)-5-ethylpyrazol-3-yl]-2,4-difluorobenzamide is CCc1cc(NC(=O)c2ccc(F)cc2F)nn1-c1ccc(C#N)cc1.
What is the InChIKey of N-[1-(4-cyanophenyl)-5-ethylpyrazol-3-yl]-2,4-difluorobenzamide?
The InChIKey is PIFGVYWSJKQXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N4O/c1-2-14-10-18(23-19(26)16-8-5-13(20)9-17(16)21)24-25(14)15-6-3-12(11-22)4-7-15/h3-10H,2H2,1H3,(H,23,24,26).
What are the key properties of N-[1-(4-cyanophenyl)-5-ethylpyrazol-3-yl]-2,4-difluorobenzamide?
N-[1-(4-cyanophenyl)-5-ethylpyrazol-3-yl]-2,4-difluorobenzamide has a molecular weight of 352.34 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyanophenyl)-5-ethylpyrazol-3-yl]-2,4-difluorobenzamide is sourced from PubChem (CID 46106892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).