(3S)-5-methyl-3-(3-nitrophenyl)-2-phenyl-3,4-dihydropyrazole

C16H15N3O2 — CID 44632041

IUPAC(3S)-5-methyl-3-(3-nitrophenyl)-2-phenyl-3,4-dihydropyrazole
SMILESCC1=NN(c2ccccc2)[C@H](c2cccc([N+](=O)[O-])c2)C1
InChIInChI=1S/C16H15N3O2/c1-12-10-16(13-6-5-9-15(11-13)19(20)21)18(17-12)14-7-3-2-4-8-14/h2-9,11,16H,10H2,1H3/t16-/m0/s1
InChIKeyZRJQVYIGALKFEB-INIZCTEOSA-N
MW281.31 g/mol
LogP3.92
Rot. Bonds3

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

(3S)-5-methyl-3-(3-nitrophenyl)-2-phenyl-3,4-dihydropyrazole (PubChem CID 44632041) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is (3S)-5-methyl-3-(3-nitrophenyl)-2-phenyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name(3S)-5-methyl-3-(3-nitrophenyl)-2-phenyl-3,4-dihydropyrazole
PubChem CID44632041
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name(3S)-5-methyl-3-(3-nitrophenyl)-2-phenyl-3,4-dihydropyrazole
SMILESCC1=NN(c2ccccc2)[C@H](c2cccc([N+](=O)[O-])c2)C1
InChIInChI=1S/C16H15N3O2/c1-12-10-16(13-6-5-9-15(11-13)19(20)21)18(17-12)14-7-3-2-4-8-14/h2-9,11,16H,10H2,1H3/t16-/m0/s1
InChIKeyZRJQVYIGALKFEB-INIZCTEOSA-N
XLogP3.92
TPSA58.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.92
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'}

Analyze (3S)-5-methyl-3-(3-nitrophenyl)-2-phenyl-3,4-dihydropyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-Diphenyl-4,5-dihydro-1H-pyrazole
CID 302304
3-Methyl-1,5-diphenyl-4,5-dihydro-1H-pyrazole
CID 616784
N-formyl-5-(-3'-nitrophenyl)-3-phenylpyrazoline (1i)
CID 84973178
1-Phenyl-3-(4-nitrophenyl)-2-pyrazoline
CID 622443
1-(4-nitrophenyl)-3,5-diphenyl-4,5-dihydro-1H-pyrazole
CID 2827281
5-(4-nitrophenyl)-1,3-diphenyl-4,5-dihydro-1H-pyrazole
CID 349864
5-ethoxy-1-(4-nitrophenyl)-3-phenyl-4,5-dihydro-1H-pyrazole
CID 2827498
2-(2-Nitrophenyl)-5-phenyl-3,4-dihydropyrazole-3-carbonitrile
CID 3129451
4-(Dimethylamino)benzaldehyde [1-(3-nitrophenyl)ethylidene]hydrazone
CID 5350582
5-(3-nitrophenyl)-1,3-diphenyl-4,5-dihydro-1H-pyrazole
CID 248776
1-[3-(3-Nitrophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone
CID 2829405
3-methyl-1-(4-nitrophenyl)-5-phenyl-4,5-dihydro-1H-pyrazole
CID 3095685

Frequently Asked Questions

What is the IUPAC name of (3S)-5-methyl-3-(3-nitrophenyl)-2-phenyl-3,4-dihydropyrazole?
The IUPAC name of (3S)-5-methyl-3-(3-nitrophenyl)-2-phenyl-3,4-dihydropyrazole (CID 44632041) is (3S)-5-methyl-3-(3-nitrophenyl)-2-phenyl-3,4-dihydropyrazole.
What is the SMILES notation for (3S)-5-methyl-3-(3-nitrophenyl)-2-phenyl-3,4-dihydropyrazole?
The canonical SMILES for (3S)-5-methyl-3-(3-nitrophenyl)-2-phenyl-3,4-dihydropyrazole is CC1=NN(c2ccccc2)[C@H](c2cccc([N+](=O)[O-])c2)C1.
What is the InChIKey of (3S)-5-methyl-3-(3-nitrophenyl)-2-phenyl-3,4-dihydropyrazole?
The InChIKey is ZRJQVYIGALKFEB-INIZCTEOSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-12-10-16(13-6-5-9-15(11-13)19(20)21)18(17-12)14-7-3-2-4-8-14/h2-9,11,16H,10H2,1H3/t16-/m0/s1.
What are the key properties of (3S)-5-methyl-3-(3-nitrophenyl)-2-phenyl-3,4-dihydropyrazole?
(3S)-5-methyl-3-(3-nitrophenyl)-2-phenyl-3,4-dihydropyrazole has a molecular weight of 281.31 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-methyl-3-(3-nitrophenyl)-2-phenyl-3,4-dihydropyrazole is sourced from PubChem (CID 44632041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).