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

C23H16ClF2N5O2 — CID 118505207

IUPAC5-[[2-chloro-5-[6-(difluoromethyl)-2-pyridinyl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide
SMILESNC(=O)c1cc(NC(=O)c2cc(-c3cccc(C(F)F)n3)ccc2Cl)n(-c2ccccc2)n1
InChIInChI=1S/C23H16ClF2N5O2/c24-16-10-9-13(17-7-4-8-18(28-17)21(25)26)11-15(16)23(33)29-20-12-19(22(27)32)30-31(20)14-5-2-1-3-6-14/h1-12,21H,(H2,27,32)(H,29,33)
InChIKeyPCXRKXAIMDBGES-UHFFFAOYSA-N
MW467.86 g/mol
LogP4.88
Rot. Bonds6

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

5-[[2-chloro-5-[6-(difluoromethyl)-2-pyridinyl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide (PubChem CID 118505207) has the molecular formula C23H16ClF2N5O2 and a molecular weight of 467.86 g/mol. Its IUPAC name is 5-[[2-chloro-5-[6-(difluoromethyl)-2-pyridinyl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[[2-chloro-5-[6-(difluoromethyl)-2-pyridinyl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide
PubChem CID118505207
Molecular FormulaC23H16ClF2N5O2
Molecular Weight467.86 g/mol
Exact Mass467.10
IUPAC Name5-[[2-chloro-5-[6-(difluoromethyl)-2-pyridinyl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide
SMILESNC(=O)c1cc(NC(=O)c2cc(-c3cccc(C(F)F)n3)ccc2Cl)n(-c2ccccc2)n1
InChIInChI=1S/C23H16ClF2N5O2/c24-16-10-9-13(17-7-4-8-18(28-17)21(25)26)11-15(16)23(33)29-20-12-19(22(27)32)30-31(20)14-5-2-1-3-6-14/h1-12,21H,(H2,27,32)(H,29,33)
InChIKeyPCXRKXAIMDBGES-UHFFFAOYSA-N
XLogP4.88
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.86
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-chloro-5-[6-(difluoromethyl)-2-pyridinyl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide?
The IUPAC name of 5-[[2-chloro-5-[6-(difluoromethyl)-2-pyridinyl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide (CID 118505207) is 5-[[2-chloro-5-[6-(difluoromethyl)-2-pyridinyl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 5-[[2-chloro-5-[6-(difluoromethyl)-2-pyridinyl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for 5-[[2-chloro-5-[6-(difluoromethyl)-2-pyridinyl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide is NC(=O)c1cc(NC(=O)c2cc(-c3cccc(C(F)F)n3)ccc2Cl)n(-c2ccccc2)n1.
What is the InChIKey of 5-[[2-chloro-5-[6-(difluoromethyl)-2-pyridinyl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide?
The InChIKey is PCXRKXAIMDBGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClF2N5O2/c24-16-10-9-13(17-7-4-8-18(28-17)21(25)26)11-15(16)23(33)29-20-12-19(22(27)32)30-31(20)14-5-2-1-3-6-14/h1-12,21H,(H2,27,32)(H,29,33).
What are the key properties of 5-[[2-chloro-5-[6-(difluoromethyl)-2-pyridinyl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide?
5-[[2-chloro-5-[6-(difluoromethyl)-2-pyridinyl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide has a molecular weight of 467.86 g/mol, XLogP of 4.88, 6 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-(difluoromethyl)-2-pyridinyl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 118505207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).