5-(5-chloro-2-nitrophenyl)-2-phenyl-3,4-dihydropyrazole

C15H12ClN3O2 — CID 69192219

IUPAC5-(5-chloro-2-nitrophenyl)-2-phenyl-3,4-dihydropyrazole
SMILESO=[N+]([O-])c1ccc(Cl)cc1C1=NN(c2ccccc2)CC1
InChIInChI=1S/C15H12ClN3O2/c16-11-6-7-15(19(20)21)13(10-11)14-8-9-18(17-14)12-4-2-1-3-5-12/h1-7,10H,8-9H2
InChIKeyVBDCAFGHGCKALS-UHFFFAOYSA-N
MW301.73 g/mol
LogP3.86
Rot. Bonds3

About 5-(5-chloro-2-nitrophenyl)-2-phenyl-3,4-dihydropyrazole

5-(5-chloro-2-nitrophenyl)-2-phenyl-3,4-dihydropyrazole (PubChem CID 69192219) has the molecular formula C15H12ClN3O2 and a molecular weight of 301.73 g/mol. Its IUPAC name is 5-(5-chloro-2-nitrophenyl)-2-phenyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name5-(5-chloro-2-nitrophenyl)-2-phenyl-3,4-dihydropyrazole
PubChem CID69192219
Molecular FormulaC15H12ClN3O2
Molecular Weight301.73 g/mol
Exact Mass301.06
IUPAC Name5-(5-chloro-2-nitrophenyl)-2-phenyl-3,4-dihydropyrazole
SMILESO=[N+]([O-])c1ccc(Cl)cc1C1=NN(c2ccccc2)CC1
InChIInChI=1S/C15H12ClN3O2/c16-11-6-7-15(19(20)21)13(10-11)14-8-9-18(17-14)12-4-2-1-3-5-12/h1-7,10H,8-9H2
InChIKeyVBDCAFGHGCKALS-UHFFFAOYSA-N
XLogP3.86
TPSA58.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 53.86
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

4-chloro-2-(2,5-dichlorophenyl)-1-nitrobenzene
CID 19878908
11-(5-chloro-2-nitrophenyl)-14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
CID 118356941
5-chloro-2-phenyl-3,4-dihydropyrazole
CID 787909
2-(5-chloro-2-nitrophenyl)benzaldehyde
CID 3014581
5-(2,4-dichlorophenyl)-4-nitro-1-phenylpyrazole
CID 15041521
N-(5-chloro-2-nitrophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
CID 7925966
4-(5-chloro-2-nitrophenyl)-1,2-oxazole-3-carboxylic acid
CID 150693049
3-(5-chloro-2-nitrophenyl)fluoranthene
CID 134301029
4-chloro-2-nitro-1-(4-phenylphenyl)benzene
CID 153490333
1-(3-chlorophenyl)-3-methyl-5-(2-nitrophenyl)pyrazole-4-carboxylic acid
CID 13349380
1,4-bis(4-chloro-2-nitrophenyl)piperazine
CID 3930844
4-chloro-1-(3,5-diphenylphenyl)-2-nitrobenzene
CID 121437434

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-nitrophenyl)-2-phenyl-3,4-dihydropyrazole?
The IUPAC name of 5-(5-chloro-2-nitrophenyl)-2-phenyl-3,4-dihydropyrazole (CID 69192219) is 5-(5-chloro-2-nitrophenyl)-2-phenyl-3,4-dihydropyrazole.
What is the SMILES notation for 5-(5-chloro-2-nitrophenyl)-2-phenyl-3,4-dihydropyrazole?
The canonical SMILES for 5-(5-chloro-2-nitrophenyl)-2-phenyl-3,4-dihydropyrazole is O=[N+]([O-])c1ccc(Cl)cc1C1=NN(c2ccccc2)CC1.
What is the InChIKey of 5-(5-chloro-2-nitrophenyl)-2-phenyl-3,4-dihydropyrazole?
The InChIKey is VBDCAFGHGCKALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2/c16-11-6-7-15(19(20)21)13(10-11)14-8-9-18(17-14)12-4-2-1-3-5-12/h1-7,10H,8-9H2.
What are the key properties of 5-(5-chloro-2-nitrophenyl)-2-phenyl-3,4-dihydropyrazole?
5-(5-chloro-2-nitrophenyl)-2-phenyl-3,4-dihydropyrazole has a molecular weight of 301.73 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-nitrophenyl)-2-phenyl-3,4-dihydropyrazole is sourced from PubChem (CID 69192219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).