4-chloro-N-[5-oxo-4-pyrazol-1-yl-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide

C19H11Cl4N5O2 — CID 58803165

IUPAC4-chloro-N-[5-oxo-4-pyrazol-1-yl-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide
SMILESO=C(NC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)C1n1cccn1)c1ccc(Cl)cc1
InChIInChI=1S/C19H11Cl4N5O2/c20-11-4-2-10(3-5-11)18(29)25-17-16(27-7-1-6-24-27)19(30)28(26-17)15-13(22)8-12(21)9-14(15)23/h1-9,16H,(H,25,26,29)
InChIKeyOLGCMPKELPDODV-UHFFFAOYSA-N
MW483.14 g/mol
LogP4.83
Rot. Bonds3

About 4-chloro-N-[5-oxo-4-pyrazol-1-yl-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide

4-chloro-N-[5-oxo-4-pyrazol-1-yl-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide (PubChem CID 58803165) has the molecular formula C19H11Cl4N5O2 and a molecular weight of 483.14 g/mol. Its IUPAC name is 4-chloro-N-[5-oxo-4-pyrazol-1-yl-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[5-oxo-4-pyrazol-1-yl-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide
PubChem CID58803165
Molecular FormulaC19H11Cl4N5O2
Molecular Weight483.14 g/mol
Exact Mass480.97
IUPAC Name4-chloro-N-[5-oxo-4-pyrazol-1-yl-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide
SMILESO=C(NC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)C1n1cccn1)c1ccc(Cl)cc1
InChIInChI=1S/C19H11Cl4N5O2/c20-11-4-2-10(3-5-11)18(29)25-17-16(27-7-1-6-24-27)19(30)28(26-17)15-13(22)8-12(21)9-14(15)23/h1-9,16H,(H,25,26,29)
InChIKeyOLGCMPKELPDODV-UHFFFAOYSA-N
XLogP4.83
TPSA79.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.14
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-oxo-4-pyrazol-1-yl-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide?
The IUPAC name of 4-chloro-N-[5-oxo-4-pyrazol-1-yl-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide (CID 58803165) is 4-chloro-N-[5-oxo-4-pyrazol-1-yl-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[5-oxo-4-pyrazol-1-yl-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide?
The canonical SMILES for 4-chloro-N-[5-oxo-4-pyrazol-1-yl-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide is O=C(NC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)C1n1cccn1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[5-oxo-4-pyrazol-1-yl-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide?
The InChIKey is OLGCMPKELPDODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl4N5O2/c20-11-4-2-10(3-5-11)18(29)25-17-16(27-7-1-6-24-27)19(30)28(26-17)15-13(22)8-12(21)9-14(15)23/h1-9,16H,(H,25,26,29).
What are the key properties of 4-chloro-N-[5-oxo-4-pyrazol-1-yl-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide?
4-chloro-N-[5-oxo-4-pyrazol-1-yl-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide has a molecular weight of 483.14 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-oxo-4-pyrazol-1-yl-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide is sourced from PubChem (CID 58803165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).