3-methyl-6-(4-nitrophenyl)-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridine

C19H16N4O2 — CID 10806469

IUPAC3-methyl-6-(4-nitrophenyl)-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridine
SMILESCc1nn(-c2ccccc2)c2c1CCC(c1ccc([N+](=O)[O-])cc1)=N2
InChIInChI=1S/C19H16N4O2/c1-13-17-11-12-18(14-7-9-16(10-8-14)23(24)25)20-19(17)22(21-13)15-5-3-2-4-6-15/h2-10H,11-12H2,1H3
InChIKeyWPNHDJVLDOZUJY-UHFFFAOYSA-N
MW332.36 g/mol
LogP4.16
Rot. Bonds3

About 3-methyl-6-(4-nitrophenyl)-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridine

3-methyl-6-(4-nitrophenyl)-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridine (PubChem CID 10806469) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 3-methyl-6-(4-nitrophenyl)-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name3-methyl-6-(4-nitrophenyl)-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridine
PubChem CID10806469
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name3-methyl-6-(4-nitrophenyl)-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridine
SMILESCc1nn(-c2ccccc2)c2c1CCC(c1ccc([N+](=O)[O-])cc1)=N2
InChIInChI=1S/C19H16N4O2/c1-13-17-11-12-18(14-7-9-16(10-8-14)23(24)25)20-19(17)22(21-13)15-5-3-2-4-6-15/h2-10H,11-12H2,1H3
InChIKeyWPNHDJVLDOZUJY-UHFFFAOYSA-N
XLogP4.16
TPSA73.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 54.16
H-Bond Donors ≤ 50
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'}

Analyze 3-methyl-6-(4-nitrophenyl)-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridine 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

Pyrazole, 5-amino-3-(p-aminophenyl)-1-phenyl-
CID 202779
3-Methyl-1,4-diphenyl-1H-pyrazol-5-amine
CID 619285
3-(3-Methylphenyl)-1-phenyl-1H-pyrazol-5-ylamine
CID 2060622
3-(4-ethylphenyl)-1-phenyl-1H-pyrazol-5-amine
CID 2517678
3-methyl-1-(4-nitrophenyl)-4-phenyl-1H-pyrazol-5-amine
CID 1263645
3-(4-Methylphenyl)-1-phenyl-1H-pyrazol-5-amine
CID 854142
1,3-Bis(4-methylphenyl)-1H-pyrazol-5-amine
CID 800457
4-(3-methylphenyl)-1-(3-nitrophenyl)-1H-pyrazol-5-amine
CID 2764842
4-(4-Methylphenyl)-1-(3-nitrophenyl)-1H-pyrazol-5-amine
CID 2764846
4-(2-methylphenyl)-1-(3-nitrophenyl)-1H-pyrazol-5-amine
CID 3831208
5-(4-Amino-phenyl)-2-p-tolyl-2H-pyrazol-3-ylamine
CID 786192
N-[4-(5-Amino-1-p-tolyl-1H-pyrazol-3-yl)-phenyl]-4-nitro-benzenesulfonamide
CID 12018679

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(4-nitrophenyl)-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridine?
The IUPAC name of 3-methyl-6-(4-nitrophenyl)-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridine (CID 10806469) is 3-methyl-6-(4-nitrophenyl)-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridine.
What is the SMILES notation for 3-methyl-6-(4-nitrophenyl)-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridine?
The canonical SMILES for 3-methyl-6-(4-nitrophenyl)-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridine is Cc1nn(-c2ccccc2)c2c1CCC(c1ccc([N+](=O)[O-])cc1)=N2.
What is the InChIKey of 3-methyl-6-(4-nitrophenyl)-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridine?
The InChIKey is WPNHDJVLDOZUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-13-17-11-12-18(14-7-9-16(10-8-14)23(24)25)20-19(17)22(21-13)15-5-3-2-4-6-15/h2-10H,11-12H2,1H3.
What are the key properties of 3-methyl-6-(4-nitrophenyl)-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridine?
3-methyl-6-(4-nitrophenyl)-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridine has a molecular weight of 332.36 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(4-nitrophenyl)-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridine is sourced from PubChem (CID 10806469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).