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

C22H15Cl2N5O2 — CID 118497153

IUPAC5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxamide
SMILESNC(=O)c1cc(NC(=O)c2cc(-c3ccccn3)c(Cl)cc2Cl)n(-c2ccccc2)n1
InChIInChI=1S/C22H15Cl2N5O2/c23-16-11-17(24)15(10-14(16)18-8-4-5-9-26-18)22(31)27-20-12-19(21(25)30)28-29(20)13-6-2-1-3-7-13/h1-12H,(H2,25,30)(H,27,31)
InChIKeyQYGWCQIPDHCLRV-UHFFFAOYSA-N
MW452.30 g/mol
LogP4.59
Rot. Bonds5

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

5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxamide (PubChem CID 118497153) has the molecular formula C22H15Cl2N5O2 and a molecular weight of 452.30 g/mol. Its IUPAC name is 5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxamide
PubChem CID118497153
Molecular FormulaC22H15Cl2N5O2
Molecular Weight452.30 g/mol
Exact Mass451.06
IUPAC Name5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxamide
SMILESNC(=O)c1cc(NC(=O)c2cc(-c3ccccn3)c(Cl)cc2Cl)n(-c2ccccc2)n1
InChIInChI=1S/C22H15Cl2N5O2/c23-16-11-17(24)15(10-14(16)18-8-4-5-9-26-18)22(31)27-20-12-19(21(25)30)28-29(20)13-6-2-1-3-7-13/h1-12H,(H2,25,30)(H,27,31)
InChIKeyQYGWCQIPDHCLRV-UHFFFAOYSA-N
XLogP4.59
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.30
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-5-((2-chlorobenzoyl)amino)-1-phenyl-N-(2-(1-(4-pyridinyl)-4-piperidinyl)ethyl)-1H-pyrazole-3-carboxamide
CID 23630919
5-{[5-(6-aminopyridin-2-yl)-2-chlorobenzene-1-carbonyl]amino}-1-phenyl-1H-pyrazole-3-carboxamide
CID 118456253
5-(2,4-dichloro-5-(pyridin-2-yl)benzamido)-N-(2-hydroxy-2-methylpropyl)-1-phenyl-1H-pyrazole-3-carboxamide
CID 118497137
2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-N-(2-methylpyrazol-3-yl)acetamide
CID 57396206
2-(1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(4-(pyrimidin-2-yl)piperidine-1-carbonyl)-1H-pyrazol-4-yl)acetamide
CID 46226231
4-bromo-5-[(2-chlorobenzoyl)amino]-N-4-pyridinyl-1H-pyrazole-3-carboxamide
CID 11373520
Pyridine-2-carboxylic acid (2,5-diphenyl-2H-pyrazol-3-yl)-amide
CID 11405070
4-chloro-5-[(2-chlorobenzoyl)amino]-N-[2-[1-(4-pyridinyl)-4-piperidinyl]ethyl]-1Hpyrazole-3-carboxamide
CID 23630511
5-[(2-chlorobenzoyl)amino]-4-methyl-N-[2-[1-(4-pyridinyl)-4-piperidinyl]ethyl]-1Hpyrazole-3-carboxamide
CID 23630512
4-bromo-5-[(2-chlorobenzoyl)amino]-1-pyridin-2-yl-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]pyrazole-3-carboxamide
CID 23630613
4-bromo-5-[(2-chlorobenzoyl)amino]-1-methyl-N-[2-[1-(4-pyridinyl)-4-piperidinyl]ethyl]-1H-pyrazole-3-carboxamide
CID 23630918
N-(6-amino-5-(2,5-dichlorophenyl)pyridin-2-yl)-1-methyl-1H-pyrazole-5-carboxamide
CID 25155168

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxamide?
The IUPAC name of 5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxamide (CID 118497153) is 5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for 5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxamide is NC(=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]-1-phenylpyrazole-3-carboxamide?
The InChIKey is QYGWCQIPDHCLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl2N5O2/c23-16-11-17(24)15(10-14(16)18-8-4-5-9-26-18)22(31)27-20-12-19(21(25)30)28-29(20)13-6-2-1-3-7-13/h1-12H,(H2,25,30)(H,27,31).
What are the key properties of 5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxamide?
5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxamide has a molecular weight of 452.30 g/mol, XLogP of 4.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 118497153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).