5-(2-chloro-4-nitrophenyl)-N-phenylpyrazole-1-carboxamide

C16H11ClN4O3 — CID 2824233

IUPAC5-(2-chloro-4-nitrophenyl)-N-phenylpyrazole-1-carboxamide
SMILESO=C(Nc1ccccc1)n1nccc1-c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C16H11ClN4O3/c17-14-10-12(21(23)24)6-7-13(14)15-8-9-18-20(15)16(22)19-11-4-2-1-3-5-11/h1-10H,(H,19,22)
InChIKeyMFGZFAOJASBNBN-UHFFFAOYSA-N
MW342.74 g/mol
LogP4.19
Rot. Bonds3

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

5-(2-chloro-4-nitrophenyl)-N-phenylpyrazole-1-carboxamide (PubChem CID 2824233) has the molecular formula C16H11ClN4O3 and a molecular weight of 342.74 g/mol. Its IUPAC name is 5-(2-chloro-4-nitrophenyl)-N-phenylpyrazole-1-carboxamide.

Molecular Properties

Compound Name5-(2-chloro-4-nitrophenyl)-N-phenylpyrazole-1-carboxamide
PubChem CID2824233
Molecular FormulaC16H11ClN4O3
Molecular Weight342.74 g/mol
Exact Mass342.05
IUPAC Name5-(2-chloro-4-nitrophenyl)-N-phenylpyrazole-1-carboxamide
SMILESO=C(Nc1ccccc1)n1nccc1-c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C16H11ClN4O3/c17-14-10-12(21(23)24)6-7-13(14)15-8-9-18-20(15)16(22)19-11-4-2-1-3-5-11/h1-10H,(H,19,22)
InChIKeyMFGZFAOJASBNBN-UHFFFAOYSA-N
XLogP4.19
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.74
LogP ≤ 54.19
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-phenylpyrazole-1-carboxamide?
The IUPAC name of 5-(2-chloro-4-nitrophenyl)-N-phenylpyrazole-1-carboxamide (CID 2824233) is 5-(2-chloro-4-nitrophenyl)-N-phenylpyrazole-1-carboxamide.
What is the SMILES notation for 5-(2-chloro-4-nitrophenyl)-N-phenylpyrazole-1-carboxamide?
The canonical SMILES for 5-(2-chloro-4-nitrophenyl)-N-phenylpyrazole-1-carboxamide is O=C(Nc1ccccc1)n1nccc1-c1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 5-(2-chloro-4-nitrophenyl)-N-phenylpyrazole-1-carboxamide?
The InChIKey is MFGZFAOJASBNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4O3/c17-14-10-12(21(23)24)6-7-13(14)15-8-9-18-20(15)16(22)19-11-4-2-1-3-5-11/h1-10H,(H,19,22).
What are the key properties of 5-(2-chloro-4-nitrophenyl)-N-phenylpyrazole-1-carboxamide?
5-(2-chloro-4-nitrophenyl)-N-phenylpyrazole-1-carboxamide has a molecular weight of 342.74 g/mol, XLogP of 4.19, 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-phenylpyrazole-1-carboxamide is sourced from PubChem (CID 2824233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).