5-(2,4-dichlorophenyl)-4-nitro-1-phenylpyrazole

C15H9Cl2N3O2 — CID 15041521

IUPAC5-(2,4-dichlorophenyl)-4-nitro-1-phenylpyrazole
SMILESO=[N+]([O-])c1cnn(-c2ccccc2)c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H9Cl2N3O2/c16-10-6-7-12(13(17)8-10)15-14(20(21)22)9-18-19(15)11-4-2-1-3-5-11/h1-9H
InChIKeyQZZNABPDDGTJDU-UHFFFAOYSA-N
MW334.16 g/mol
LogP4.75
Rot. Bonds3

About 5-(2,4-dichlorophenyl)-4-nitro-1-phenylpyrazole

5-(2,4-dichlorophenyl)-4-nitro-1-phenylpyrazole (PubChem CID 15041521) has the molecular formula C15H9Cl2N3O2 and a molecular weight of 334.16 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-4-nitro-1-phenylpyrazole.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)-4-nitro-1-phenylpyrazole
PubChem CID15041521
Molecular FormulaC15H9Cl2N3O2
Molecular Weight334.16 g/mol
Exact Mass333.01
IUPAC Name5-(2,4-dichlorophenyl)-4-nitro-1-phenylpyrazole
SMILESO=[N+]([O-])c1cnn(-c2ccccc2)c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H9Cl2N3O2/c16-10-6-7-12(13(17)8-10)15-14(20(21)22)9-18-19(15)11-4-2-1-3-5-11/h1-9H
InChIKeyQZZNABPDDGTJDU-UHFFFAOYSA-N
XLogP4.75
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.16
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Related Compounds

5-chloro-4-nitro-1-phenylpyrazole
CID 105481380
5-(2-fluorophenyl)-1-(4-methylphenyl)-4-nitropyrazole
CID 102336731
2-(2,4-dichlorophenyl)-4-nitroquinoline
CID 101421541
N-(4-chloro-2-nitrophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 108804190
4-chloro-2-nitro-1-(4-phenylphenyl)benzene
CID 153490333
4-chloro-1-(3,5-diphenylphenyl)-2-nitrobenzene
CID 121437434
4-chloro-1-(2-chlorophenyl)-2-nitrobenzene
CID 175258433
5-(5-chloro-2-nitrophenyl)-2-phenyl-3,4-dihydropyrazole
CID 69192219
5-(2,4-dichlorophenyl)-3-methyl-1-phenylpyrazole
CID 139225206
3-(4-chloro-2-nitrophenyl)pyridine
CID 76852317
5-chloro-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-nitrobenzamide
CID 16960970
4-(2,4-dichlorophenyl)-2-(3-nitrophenyl)-1-phenylimidazole
CID 45029220

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)-4-nitro-1-phenylpyrazole?
The IUPAC name of 5-(2,4-dichlorophenyl)-4-nitro-1-phenylpyrazole (CID 15041521) is 5-(2,4-dichlorophenyl)-4-nitro-1-phenylpyrazole.
What is the SMILES notation for 5-(2,4-dichlorophenyl)-4-nitro-1-phenylpyrazole?
The canonical SMILES for 5-(2,4-dichlorophenyl)-4-nitro-1-phenylpyrazole is O=[N+]([O-])c1cnn(-c2ccccc2)c1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 5-(2,4-dichlorophenyl)-4-nitro-1-phenylpyrazole?
The InChIKey is QZZNABPDDGTJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2N3O2/c16-10-6-7-12(13(17)8-10)15-14(20(21)22)9-18-19(15)11-4-2-1-3-5-11/h1-9H.
What are the key properties of 5-(2,4-dichlorophenyl)-4-nitro-1-phenylpyrazole?
5-(2,4-dichlorophenyl)-4-nitro-1-phenylpyrazole has a molecular weight of 334.16 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenyl)-4-nitro-1-phenylpyrazole is sourced from PubChem (CID 15041521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).