5-[[2-chloro-5-[6-(2,2-difluoroethyl)-2-pyridinyl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide

C24H18ClF2N5O2 — CID 118505208

IUPAC5-[[2-chloro-5-[6-(2,2-difluoroethyl)-2-pyridinyl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide
SMILESNC(=O)c1cc(NC(=O)c2cc(-c3cccc(CC(F)F)n3)ccc2Cl)n(-c2ccccc2)n1
InChIInChI=1S/C24H18ClF2N5O2/c25-18-10-9-14(19-8-4-5-15(29-19)12-21(26)27)11-17(18)24(34)30-22-13-20(23(28)33)31-32(22)16-6-2-1-3-7-16/h1-11,13,21H,12H2,(H2,28,33)(H,30,34)
InChIKeyFEXWVJCHYHKQCY-UHFFFAOYSA-N
MW481.89 g/mol
LogP4.75
Rot. Bonds7

About 5-[[2-chloro-5-[6-(2,2-difluoroethyl)-2-pyridinyl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide

5-[[2-chloro-5-[6-(2,2-difluoroethyl)-2-pyridinyl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide (PubChem CID 118505208) has the molecular formula C24H18ClF2N5O2 and a molecular weight of 481.89 g/mol. Its IUPAC name is 5-[[2-chloro-5-[6-(2,2-difluoroethyl)-2-pyridinyl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[[2-chloro-5-[6-(2,2-difluoroethyl)-2-pyridinyl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide
PubChem CID118505208
Molecular FormulaC24H18ClF2N5O2
Molecular Weight481.89 g/mol
Exact Mass481.11
IUPAC Name5-[[2-chloro-5-[6-(2,2-difluoroethyl)-2-pyridinyl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide
SMILESNC(=O)c1cc(NC(=O)c2cc(-c3cccc(CC(F)F)n3)ccc2Cl)n(-c2ccccc2)n1
InChIInChI=1S/C24H18ClF2N5O2/c25-18-10-9-14(19-8-4-5-15(29-19)12-21(26)27)11-17(18)24(34)30-22-13-20(23(28)33)31-32(22)16-6-2-1-3-7-16/h1-11,13,21H,12H2,(H2,28,33)(H,30,34)
InChIKeyFEXWVJCHYHKQCY-UHFFFAOYSA-N
XLogP4.75
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.89
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[[2-chloro-5-[6-(2,2-difluoroethyl)-2-pyridinyl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[2-chloro-5-[6-(2,2-difluoroethyl)-2-pyridinyl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide?
The IUPAC name of 5-[[2-chloro-5-[6-(2,2-difluoroethyl)-2-pyridinyl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide (CID 118505208) is 5-[[2-chloro-5-[6-(2,2-difluoroethyl)-2-pyridinyl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 5-[[2-chloro-5-[6-(2,2-difluoroethyl)-2-pyridinyl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for 5-[[2-chloro-5-[6-(2,2-difluoroethyl)-2-pyridinyl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide is NC(=O)c1cc(NC(=O)c2cc(-c3cccc(CC(F)F)n3)ccc2Cl)n(-c2ccccc2)n1.
What is the InChIKey of 5-[[2-chloro-5-[6-(2,2-difluoroethyl)-2-pyridinyl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide?
The InChIKey is FEXWVJCHYHKQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClF2N5O2/c25-18-10-9-14(19-8-4-5-15(29-19)12-21(26)27)11-17(18)24(34)30-22-13-20(23(28)33)31-32(22)16-6-2-1-3-7-16/h1-11,13,21H,12H2,(H2,28,33)(H,30,34).
What are the key properties of 5-[[2-chloro-5-[6-(2,2-difluoroethyl)-2-pyridinyl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide?
5-[[2-chloro-5-[6-(2,2-difluoroethyl)-2-pyridinyl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide has a molecular weight of 481.89 g/mol, XLogP of 4.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-chloro-5-[6-(2,2-difluoroethyl)-2-pyridinyl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 118505208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).