N-(4-acetamido-2-chlorophenyl)-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide

C25H21ClN4O2 — CID 56580220

IUPACN-(4-acetamido-2-chlorophenyl)-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccc(C)c2)c(Cl)c1
InChIInChI=1S/C25H21ClN4O2/c1-16-7-6-8-18(13-16)24-21(15-30(29-24)20-9-4-3-5-10-20)25(32)28-23-12-11-19(14-22(23)26)27-17(2)31/h3-15H,1-2H3,(H,27,31)(H,28,32)
InChIKeyIDLLMQJRBFMSST-UHFFFAOYSA-N
MW444.92 g/mol
LogP5.71
Rot. Bonds5

About N-(4-acetamido-2-chlorophenyl)-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide

N-(4-acetamido-2-chlorophenyl)-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 56580220) has the molecular formula C25H21ClN4O2 and a molecular weight of 444.92 g/mol. Its IUPAC name is N-(4-acetamido-2-chlorophenyl)-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetamido-2-chlorophenyl)-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
PubChem CID56580220
Molecular FormulaC25H21ClN4O2
Molecular Weight444.92 g/mol
Exact Mass444.14
IUPAC NameN-(4-acetamido-2-chlorophenyl)-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccc(C)c2)c(Cl)c1
InChIInChI=1S/C25H21ClN4O2/c1-16-7-6-8-18(13-16)24-21(15-30(29-24)20-9-4-3-5-10-20)25(32)28-23-12-11-19(14-22(23)26)27-17(2)31/h3-15H,1-2H3,(H,27,31)(H,28,32)
InChIKeyIDLLMQJRBFMSST-UHFFFAOYSA-N
XLogP5.71
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.92
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 9110013
N-(3-acetamido-4-methylphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 55784527
3-(3-chlorophenyl)-N-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 154929741
N-(5-acetamido-2-methoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 42282110
N-(2-chlorophenyl)-3-(3,4-dimethylphenyl)-1-phenylpyrazole-4-carboxamide
CID 2412473
N-[3-[(2-methoxyacetyl)amino]phenyl]-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 38396952
N-(2,5-dimethylphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 19281305
3-(3-methylphenyl)-1-phenyl-N-(3,4,5-trimethoxyphenyl)pyrazole-4-carboxamide
CID 26101953
4-[[3-(3-chlorophenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid
CID 1287582
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 32942890
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 55674688
N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazole-4-carboxamide
CID 55670188

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-2-chlorophenyl)-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(4-acetamido-2-chlorophenyl)-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide (CID 56580220) is N-(4-acetamido-2-chlorophenyl)-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-acetamido-2-chlorophenyl)-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-acetamido-2-chlorophenyl)-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide is CC(=O)Nc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccc(C)c2)c(Cl)c1.
What is the InChIKey of N-(4-acetamido-2-chlorophenyl)-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is IDLLMQJRBFMSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN4O2/c1-16-7-6-8-18(13-16)24-21(15-30(29-24)20-9-4-3-5-10-20)25(32)28-23-12-11-19(14-22(23)26)27-17(2)31/h3-15H,1-2H3,(H,27,31)(H,28,32).
What are the key properties of N-(4-acetamido-2-chlorophenyl)-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide?
N-(4-acetamido-2-chlorophenyl)-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 444.92 g/mol, XLogP of 5.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-2-chlorophenyl)-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 56580220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).