3-(4-chlorophenyl)-5-(4-nitrophenyl)-1H-pyrazole

C15H10ClN3O2 — CID 135510984

IUPAC3-(4-chlorophenyl)-5-(4-nitrophenyl)-1H-pyrazole
SMILESO=[N+]([O-])c1ccc(-c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1
InChIInChI=1S/C15H10ClN3O2/c16-12-5-1-10(2-6-12)14-9-15(18-17-14)11-3-7-13(8-4-11)19(20)21/h1-9H,(H,17,18)
InChIKeyQSWCWEZCOFJLMS-UHFFFAOYSA-N
MW299.72 g/mol
LogP4.31
Rot. Bonds3

About 3-(4-chlorophenyl)-5-(4-nitrophenyl)-1H-pyrazole

3-(4-chlorophenyl)-5-(4-nitrophenyl)-1H-pyrazole (PubChem CID 135510984) has the molecular formula C15H10ClN3O2 and a molecular weight of 299.72 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-(4-nitrophenyl)-1H-pyrazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-(4-nitrophenyl)-1H-pyrazole
PubChem CID135510984
Molecular FormulaC15H10ClN3O2
Molecular Weight299.72 g/mol
Exact Mass299.05
IUPAC Name3-(4-chlorophenyl)-5-(4-nitrophenyl)-1H-pyrazole
SMILESO=[N+]([O-])c1ccc(-c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1
InChIInChI=1S/C15H10ClN3O2/c16-12-5-1-10(2-6-12)14-9-15(18-17-14)11-3-7-13(8-4-11)19(20)21/h1-9H,(H,17,18)
InChIKeyQSWCWEZCOFJLMS-UHFFFAOYSA-N
XLogP4.31
TPSA71.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.72
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-(4-chlorophenyl)-5-(4-nitrophenyl)-1H-pyrazole?
The IUPAC name of 3-(4-chlorophenyl)-5-(4-nitrophenyl)-1H-pyrazole (CID 135510984) is 3-(4-chlorophenyl)-5-(4-nitrophenyl)-1H-pyrazole.
What is the SMILES notation for 3-(4-chlorophenyl)-5-(4-nitrophenyl)-1H-pyrazole?
The canonical SMILES for 3-(4-chlorophenyl)-5-(4-nitrophenyl)-1H-pyrazole is O=[N+]([O-])c1ccc(-c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-5-(4-nitrophenyl)-1H-pyrazole?
The InChIKey is QSWCWEZCOFJLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O2/c16-12-5-1-10(2-6-12)14-9-15(18-17-14)11-3-7-13(8-4-11)19(20)21/h1-9H,(H,17,18).
What are the key properties of 3-(4-chlorophenyl)-5-(4-nitrophenyl)-1H-pyrazole?
3-(4-chlorophenyl)-5-(4-nitrophenyl)-1H-pyrazole has a molecular weight of 299.72 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-(4-nitrophenyl)-1H-pyrazole is sourced from PubChem (CID 135510984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).