3-(4-methylphenyl)-1-(3-nitrophenyl)-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline

C24H15F3N4O2 — CID 46251422

IUPAC3-(4-methylphenyl)-1-(3-nitrophenyl)-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline
SMILESCc1ccc(-c2nn(-c3cccc([N+](=O)[O-])c3)c3c2cnc2cc(C(F)(F)F)ccc23)cc1
InChIInChI=1S/C24H15F3N4O2/c1-14-5-7-15(8-6-14)22-20-13-28-21-11-16(24(25,26)27)9-10-19(21)23(20)30(29-22)17-3-2-4-18(12-17)31(32)33/h2-13H,1H3
InChIKeyVUAKYLFUUQZWCX-UHFFFAOYSA-N
MW448.40 g/mol
LogP6.48
Rot. Bonds3

About 3-(4-methylphenyl)-1-(3-nitrophenyl)-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline

3-(4-methylphenyl)-1-(3-nitrophenyl)-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline (PubChem CID 46251422) has the molecular formula C24H15F3N4O2 and a molecular weight of 448.40 g/mol. Its IUPAC name is 3-(4-methylphenyl)-1-(3-nitrophenyl)-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name3-(4-methylphenyl)-1-(3-nitrophenyl)-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline
PubChem CID46251422
Molecular FormulaC24H15F3N4O2
Molecular Weight448.40 g/mol
Exact Mass448.11
IUPAC Name3-(4-methylphenyl)-1-(3-nitrophenyl)-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline
SMILESCc1ccc(-c2nn(-c3cccc([N+](=O)[O-])c3)c3c2cnc2cc(C(F)(F)F)ccc23)cc1
InChIInChI=1S/C24H15F3N4O2/c1-14-5-7-15(8-6-14)22-20-13-28-21-11-16(24(25,26)27)9-10-19(21)23(20)30(29-22)17-3-2-4-18(12-17)31(32)33/h2-13H,1H3
InChIKeyVUAKYLFUUQZWCX-UHFFFAOYSA-N
XLogP6.48
TPSA73.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.40
LogP ≤ 56.48
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'}

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Related Compounds

7,8-difluoro-3-(4-methylphenyl)-1-(3-nitrophenyl)pyrazolo[4,5-c]quinoline
CID 46251426
8-methoxy-3-(4-methylphenyl)-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline
CID 46251420
ethyl 3-(4-methylphenyl)-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline-8-carboxylate
CID 46251423
8-methoxy-3-(3-methoxyphenyl)-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline
CID 46251447
3-(3,4-dimethoxyphenyl)-8-methoxy-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline
CID 46251450
1-(3-chlorophenyl)-3-(4-fluorophenyl)-8-methylpyrazolo[4,3-c]quinoline
CID 20953395
1-(3-nitrophenyl)-4-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
CID 3746802
ethyl 1-(4-tert-butylphenyl)-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline-8-carboxylate
CID 20852601
1-(4-bromophenyl)-3-(4-methylphenyl)pyrazolo[4,5-c]quinoline
CID 20852536
1,3-bis(4-fluorophenyl)-8-methylpyrazolo[4,3-c]quinoline
CID 20953396
8-methoxy-3-(4-methylphenyl)-1-phenylpyrazolo[4,3-c]quinoline
CID 20852567
1-(4-fluorophenyl)-6-methoxy-3-(4-nitrophenyl)pyrazolo[4,3-c]quinoline
CID 46251410

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-1-(3-nitrophenyl)-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline?
The IUPAC name of 3-(4-methylphenyl)-1-(3-nitrophenyl)-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline (CID 46251422) is 3-(4-methylphenyl)-1-(3-nitrophenyl)-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline.
What is the SMILES notation for 3-(4-methylphenyl)-1-(3-nitrophenyl)-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline?
The canonical SMILES for 3-(4-methylphenyl)-1-(3-nitrophenyl)-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline is Cc1ccc(-c2nn(-c3cccc([N+](=O)[O-])c3)c3c2cnc2cc(C(F)(F)F)ccc23)cc1.
What is the InChIKey of 3-(4-methylphenyl)-1-(3-nitrophenyl)-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline?
The InChIKey is VUAKYLFUUQZWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F3N4O2/c1-14-5-7-15(8-6-14)22-20-13-28-21-11-16(24(25,26)27)9-10-19(21)23(20)30(29-22)17-3-2-4-18(12-17)31(32)33/h2-13H,1H3.
What are the key properties of 3-(4-methylphenyl)-1-(3-nitrophenyl)-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline?
3-(4-methylphenyl)-1-(3-nitrophenyl)-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline has a molecular weight of 448.40 g/mol, XLogP of 6.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-1-(3-nitrophenyl)-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline is sourced from PubChem (CID 46251422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).