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

C19H15N5O4 — CID 10762124

IUPAC3-methyl-1,6-bis(4-nitrophenyl)-4,5-dihydropyrazolo[5,4-b]pyridine
SMILESCc1nn(-c2ccc([N+](=O)[O-])cc2)c2c1CCC(c1ccc([N+](=O)[O-])cc1)=N2
InChIInChI=1S/C19H15N5O4/c1-12-17-10-11-18(13-2-4-15(5-3-13)23(25)26)20-19(17)22(21-12)14-6-8-16(9-7-14)24(27)28/h2-9H,10-11H2,1H3
InChIKeyYTWYFGLUPPAODI-UHFFFAOYSA-N
MW377.36 g/mol
LogP4.06
Rot. Bonds4

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

3-methyl-1,6-bis(4-nitrophenyl)-4,5-dihydropyrazolo[5,4-b]pyridine (PubChem CID 10762124) has the molecular formula C19H15N5O4 and a molecular weight of 377.36 g/mol. Its IUPAC name is 3-methyl-1,6-bis(4-nitrophenyl)-4,5-dihydropyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name3-methyl-1,6-bis(4-nitrophenyl)-4,5-dihydropyrazolo[5,4-b]pyridine
PubChem CID10762124
Molecular FormulaC19H15N5O4
Molecular Weight377.36 g/mol
Exact Mass377.11
IUPAC Name3-methyl-1,6-bis(4-nitrophenyl)-4,5-dihydropyrazolo[5,4-b]pyridine
SMILESCc1nn(-c2ccc([N+](=O)[O-])cc2)c2c1CCC(c1ccc([N+](=O)[O-])cc1)=N2
InChIInChI=1S/C19H15N5O4/c1-12-17-10-11-18(13-2-4-15(5-3-13)23(25)26)20-19(17)22(21-12)14-6-8-16(9-7-14)24(27)28/h2-9H,10-11H2,1H3
InChIKeyYTWYFGLUPPAODI-UHFFFAOYSA-N
XLogP4.06
TPSA116.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.36
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

6-(4-chlorophenyl)-3-methyl-1-(4-nitrophenyl)-4,5-dihydropyrazolo[5,4-b]pyridine
CID 10713973
4-(3,4-dichlorophenyl)-3,5-dimethyl-1-(4-nitrophenyl)pyrazole
CID 50884208
[3,5-dimethyl-1-(4-nitrophenyl)pyrazol-4-yl]-phenylmethanone
CID 10734536
4-chloro-3-methyl-1-(4-nitrophenyl)-6,7-dihydroindazole-5-carbaldehyde
CID 155979843
3-methyl-4-(4-nitrophenyl)-1-phenyl-5,6,7,8-tetrahydropyrazolo[3,4-b]quinoline
CID 139233397
3-methyl-5-(4-nitrophenyl)-1-phenylpyrazole-4-carboxylic acid
CID 15448847
3-methyl-1-(4-nitrophenyl)-1,2,4-triazole
CID 12877065
5-methyl-3-(4-nitrophenyl)-1-phenylpyrazol-4-ol
CID 15026182
5-methyl-1-(4-nitrophenyl)pyrazol-3-amine
CID 50999869
1-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]ethanone
CID 121001716
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-methyl-5-nitrobenzenesulfonamide
CID 25342534
1-[4-benzoyl-5-methyl-1-(4-nitrophenyl)pyrazol-3-yl]ethanone
CID 100975884

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,6-bis(4-nitrophenyl)-4,5-dihydropyrazolo[5,4-b]pyridine?
The IUPAC name of 3-methyl-1,6-bis(4-nitrophenyl)-4,5-dihydropyrazolo[5,4-b]pyridine (CID 10762124) is 3-methyl-1,6-bis(4-nitrophenyl)-4,5-dihydropyrazolo[5,4-b]pyridine.
What is the SMILES notation for 3-methyl-1,6-bis(4-nitrophenyl)-4,5-dihydropyrazolo[5,4-b]pyridine?
The canonical SMILES for 3-methyl-1,6-bis(4-nitrophenyl)-4,5-dihydropyrazolo[5,4-b]pyridine is Cc1nn(-c2ccc([N+](=O)[O-])cc2)c2c1CCC(c1ccc([N+](=O)[O-])cc1)=N2.
What is the InChIKey of 3-methyl-1,6-bis(4-nitrophenyl)-4,5-dihydropyrazolo[5,4-b]pyridine?
The InChIKey is YTWYFGLUPPAODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O4/c1-12-17-10-11-18(13-2-4-15(5-3-13)23(25)26)20-19(17)22(21-12)14-6-8-16(9-7-14)24(27)28/h2-9H,10-11H2,1H3.
What are the key properties of 3-methyl-1,6-bis(4-nitrophenyl)-4,5-dihydropyrazolo[5,4-b]pyridine?
3-methyl-1,6-bis(4-nitrophenyl)-4,5-dihydropyrazolo[5,4-b]pyridine has a molecular weight of 377.36 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,6-bis(4-nitrophenyl)-4,5-dihydropyrazolo[5,4-b]pyridine is sourced from PubChem (CID 10762124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).