N-acetyl-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide

C19H14Cl3N3O2 — CID 25157884

IUPACN-acetyl-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
SMILESCC(=O)NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1C
InChIInChI=1S/C19H14Cl3N3O2/c1-10-17(19(27)23-11(2)26)24-25(16-8-7-14(21)9-15(16)22)18(10)12-3-5-13(20)6-4-12/h3-9H,1-2H3,(H,23,26,27)
InChIKeyRJMGGKCXNBFSBS-UHFFFAOYSA-N
MW422.70 g/mol
LogP5.08
Rot. Bonds3

About N-acetyl-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide

N-acetyl-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide (PubChem CID 25157884) has the molecular formula C19H14Cl3N3O2 and a molecular weight of 422.70 g/mol. Its IUPAC name is N-acetyl-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-acetyl-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
PubChem CID25157884
Molecular FormulaC19H14Cl3N3O2
Molecular Weight422.70 g/mol
Exact Mass421.02
IUPAC NameN-acetyl-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
SMILESCC(=O)NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1C
InChIInChI=1S/C19H14Cl3N3O2/c1-10-17(19(27)23-11(2)26)24-25(16-8-7-14(21)9-15(16)22)18(10)12-3-5-13(20)6-4-12/h3-9H,1-2H3,(H,23,26,27)
InChIKeyRJMGGKCXNBFSBS-UHFFFAOYSA-N
XLogP5.08
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.70
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-acetyl-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide?
The IUPAC name of N-acetyl-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide (CID 25157884) is N-acetyl-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-acetyl-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide?
The canonical SMILES for N-acetyl-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide is CC(=O)NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1C.
What is the InChIKey of N-acetyl-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide?
The InChIKey is RJMGGKCXNBFSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl3N3O2/c1-10-17(19(27)23-11(2)26)24-25(16-8-7-14(21)9-15(16)22)18(10)12-3-5-13(20)6-4-12/h3-9H,1-2H3,(H,23,26,27).
What are the key properties of N-acetyl-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide?
N-acetyl-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide has a molecular weight of 422.70 g/mol, XLogP of 5.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide is sourced from PubChem (CID 25157884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).