N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide

C24H20F2N4O2S — CID 24982756

IUPACN-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESCCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1cc(-c2cccs2)nn1-c1ccccc1
InChIInChI=1S/C24H20F2N4O2S/c1-2-29(15-22(31)27-23-17(25)10-6-11-18(23)26)24(32)20-14-19(21-12-7-13-33-21)28-30(20)16-8-4-3-5-9-16/h3-14H,2,15H2,1H3,(H,27,31)
InChIKeyPNPPFDHCKSNDGK-UHFFFAOYSA-N
MW466.51 g/mol
LogP4.98
Rot. Bonds7

About N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide

N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide (PubChem CID 24982756) has the molecular formula C24H20F2N4O2S and a molecular weight of 466.51 g/mol. Its IUPAC name is N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
PubChem CID24982756
Molecular FormulaC24H20F2N4O2S
Molecular Weight466.51 g/mol
Exact Mass466.13
IUPAC NameN-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESCCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1cc(-c2cccs2)nn1-c1ccccc1
InChIInChI=1S/C24H20F2N4O2S/c1-2-29(15-22(31)27-23-17(25)10-6-11-18(23)26)24(32)20-14-19(21-12-7-13-33-21)28-30(20)16-8-4-3-5-9-16/h3-14H,2,15H2,1H3,(H,27,31)
InChIKeyPNPPFDHCKSNDGK-UHFFFAOYSA-N
XLogP4.98
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.51
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Pyrazole scaffold, 10d
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CID 20919877
5-(1-(2-(3,5-difluorophenylamino)-2-oxoethyl)-1H-pyrazol-3-yl)-N-hydroxythiophene-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide?
The IUPAC name of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide (CID 24982756) is N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide?
The canonical SMILES for N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide is CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1cc(-c2cccs2)nn1-c1ccccc1.
What is the InChIKey of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide?
The InChIKey is PNPPFDHCKSNDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N4O2S/c1-2-29(15-22(31)27-23-17(25)10-6-11-18(23)26)24(32)20-14-19(21-12-7-13-33-21)28-30(20)16-8-4-3-5-9-16/h3-14H,2,15H2,1H3,(H,27,31).
What are the key properties of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide?
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide has a molecular weight of 466.51 g/mol, XLogP of 4.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 24982756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).