5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-N-(2-hydroxy-2-methylpropyl)-1-phenylpyrazole-3-carboxamide

C26H23Cl2N5O3 — CID 118497137

IUPAC5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-N-(2-hydroxy-2-methylpropyl)-1-phenylpyrazole-3-carboxamide
SMILESCC(C)(O)CNC(=O)c1cc(NC(=O)c2cc(-c3ccccn3)c(Cl)cc2Cl)n(-c2ccccc2)n1
InChIInChI=1S/C26H23Cl2N5O3/c1-26(2,36)15-30-25(35)22-14-23(33(32-22)16-8-4-3-5-9-16)31-24(34)18-12-17(19(27)13-20(18)28)21-10-6-7-11-29-21/h3-14,36H,15H2,1-2H3,(H,30,35)(H,31,34)
InChIKeyNXDRKVFQQJUBOG-UHFFFAOYSA-N
MW524.41 g/mol
LogP4.99
Rot. Bonds7

About 5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-N-(2-hydroxy-2-methylpropyl)-1-phenylpyrazole-3-carboxamide

5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-N-(2-hydroxy-2-methylpropyl)-1-phenylpyrazole-3-carboxamide (PubChem CID 118497137) has the molecular formula C26H23Cl2N5O3 and a molecular weight of 524.41 g/mol. Its IUPAC name is 5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-N-(2-hydroxy-2-methylpropyl)-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-N-(2-hydroxy-2-methylpropyl)-1-phenylpyrazole-3-carboxamide
PubChem CID118497137
Molecular FormulaC26H23Cl2N5O3
Molecular Weight524.41 g/mol
Exact Mass523.12
IUPAC Name5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-N-(2-hydroxy-2-methylpropyl)-1-phenylpyrazole-3-carboxamide
SMILESCC(C)(O)CNC(=O)c1cc(NC(=O)c2cc(-c3ccccn3)c(Cl)cc2Cl)n(-c2ccccc2)n1
InChIInChI=1S/C26H23Cl2N5O3/c1-26(2,36)15-30-25(35)22-14-23(33(32-22)16-8-4-3-5-9-16)31-24(34)18-12-17(19(27)13-20(18)28)21-10-6-7-11-29-21/h3-14,36H,15H2,1-2H3,(H,30,35)(H,31,34)
InChIKeyNXDRKVFQQJUBOG-UHFFFAOYSA-N
XLogP4.99
TPSA109.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.41
LogP ≤ 54.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-N-(2-hydroxy-2-methylpropyl)-1-phenylpyrazole-3-carboxamide?
The IUPAC name of 5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-N-(2-hydroxy-2-methylpropyl)-1-phenylpyrazole-3-carboxamide (CID 118497137) is 5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-N-(2-hydroxy-2-methylpropyl)-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-N-(2-hydroxy-2-methylpropyl)-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for 5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-N-(2-hydroxy-2-methylpropyl)-1-phenylpyrazole-3-carboxamide is CC(C)(O)CNC(=O)c1cc(NC(=O)c2cc(-c3ccccn3)c(Cl)cc2Cl)n(-c2ccccc2)n1.
What is the InChIKey of 5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-N-(2-hydroxy-2-methylpropyl)-1-phenylpyrazole-3-carboxamide?
The InChIKey is NXDRKVFQQJUBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23Cl2N5O3/c1-26(2,36)15-30-25(35)22-14-23(33(32-22)16-8-4-3-5-9-16)31-24(34)18-12-17(19(27)13-20(18)28)21-10-6-7-11-29-21/h3-14,36H,15H2,1-2H3,(H,30,35)(H,31,34).
What are the key properties of 5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-N-(2-hydroxy-2-methylpropyl)-1-phenylpyrazole-3-carboxamide?
5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-N-(2-hydroxy-2-methylpropyl)-1-phenylpyrazole-3-carboxamide has a molecular weight of 524.41 g/mol, XLogP of 4.99, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-N-(2-hydroxy-2-methylpropyl)-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 118497137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).