5-(2-chloro-4-nitrophenyl)-N-(4-chlorophenyl)pyrazole-1-carboxamide

C16H10Cl2N4O3 — CID 2824235

IUPAC5-(2-chloro-4-nitrophenyl)-N-(4-chlorophenyl)pyrazole-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)n1nccc1-c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C16H10Cl2N4O3/c17-10-1-3-11(4-2-10)20-16(23)21-15(7-8-19-21)13-6-5-12(22(24)25)9-14(13)18/h1-9H,(H,20,23)
InChIKeySLWJHSANNAJFIQ-UHFFFAOYSA-N
MW377.19 g/mol
LogP4.85
Rot. Bonds3

About 5-(2-chloro-4-nitrophenyl)-N-(4-chlorophenyl)pyrazole-1-carboxamide

5-(2-chloro-4-nitrophenyl)-N-(4-chlorophenyl)pyrazole-1-carboxamide (PubChem CID 2824235) has the molecular formula C16H10Cl2N4O3 and a molecular weight of 377.19 g/mol. Its IUPAC name is 5-(2-chloro-4-nitrophenyl)-N-(4-chlorophenyl)pyrazole-1-carboxamide.

Molecular Properties

Compound Name5-(2-chloro-4-nitrophenyl)-N-(4-chlorophenyl)pyrazole-1-carboxamide
PubChem CID2824235
Molecular FormulaC16H10Cl2N4O3
Molecular Weight377.19 g/mol
Exact Mass376.01
IUPAC Name5-(2-chloro-4-nitrophenyl)-N-(4-chlorophenyl)pyrazole-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)n1nccc1-c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C16H10Cl2N4O3/c17-10-1-3-11(4-2-10)20-16(23)21-15(7-8-19-21)13-6-5-12(22(24)25)9-14(13)18/h1-9H,(H,20,23)
InChIKeySLWJHSANNAJFIQ-UHFFFAOYSA-N
XLogP4.85
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.19
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4-nitrophenyl)-N-(4-chlorophenyl)pyrazole-1-carboxamide?
The IUPAC name of 5-(2-chloro-4-nitrophenyl)-N-(4-chlorophenyl)pyrazole-1-carboxamide (CID 2824235) is 5-(2-chloro-4-nitrophenyl)-N-(4-chlorophenyl)pyrazole-1-carboxamide.
What is the SMILES notation for 5-(2-chloro-4-nitrophenyl)-N-(4-chlorophenyl)pyrazole-1-carboxamide?
The canonical SMILES for 5-(2-chloro-4-nitrophenyl)-N-(4-chlorophenyl)pyrazole-1-carboxamide is O=C(Nc1ccc(Cl)cc1)n1nccc1-c1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 5-(2-chloro-4-nitrophenyl)-N-(4-chlorophenyl)pyrazole-1-carboxamide?
The InChIKey is SLWJHSANNAJFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N4O3/c17-10-1-3-11(4-2-10)20-16(23)21-15(7-8-19-21)13-6-5-12(22(24)25)9-14(13)18/h1-9H,(H,20,23).
What are the key properties of 5-(2-chloro-4-nitrophenyl)-N-(4-chlorophenyl)pyrazole-1-carboxamide?
5-(2-chloro-4-nitrophenyl)-N-(4-chlorophenyl)pyrazole-1-carboxamide has a molecular weight of 377.19 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-4-nitrophenyl)-N-(4-chlorophenyl)pyrazole-1-carboxamide is sourced from PubChem (CID 2824235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).