7-iodo-4,4,5,5-tetramethyl-3-phenylpyrazolo[1,5-a]quinoline

C21H21IN2 — CID 137480129

IUPAC7-iodo-4,4,5,5-tetramethyl-3-phenylpyrazolo[1,5-a]quinoline
SMILESCC1(C)c2cc(I)ccc2-n2ncc(-c3ccccc3)c2C1(C)C
InChIInChI=1S/C21H21IN2/c1-20(2)17-12-15(22)10-11-18(17)24-19(21(20,3)4)16(13-23-24)14-8-6-5-7-9-14/h5-13H,1-4H3
InChIKeyAKZICBSXBOMGDT-UHFFFAOYSA-N
MW428.32 g/mol
LogP5.71
Rot. Bonds1

About 7-iodo-4,4,5,5-tetramethyl-3-phenylpyrazolo[1,5-a]quinoline

7-iodo-4,4,5,5-tetramethyl-3-phenylpyrazolo[1,5-a]quinoline (PubChem CID 137480129) has the molecular formula C21H21IN2 and a molecular weight of 428.32 g/mol. Its IUPAC name is 7-iodo-4,4,5,5-tetramethyl-3-phenylpyrazolo[1,5-a]quinoline.

Molecular Properties

Compound Name7-iodo-4,4,5,5-tetramethyl-3-phenylpyrazolo[1,5-a]quinoline
PubChem CID137480129
Molecular FormulaC21H21IN2
Molecular Weight428.32 g/mol
Exact Mass428.07
IUPAC Name7-iodo-4,4,5,5-tetramethyl-3-phenylpyrazolo[1,5-a]quinoline
SMILESCC1(C)c2cc(I)ccc2-n2ncc(-c3ccccc3)c2C1(C)C
InChIInChI=1S/C21H21IN2/c1-20(2)17-12-15(22)10-11-18(17)24-19(21(20,3)4)16(13-23-24)14-8-6-5-7-9-14/h5-13H,1-4H3
InChIKeyAKZICBSXBOMGDT-UHFFFAOYSA-N
XLogP5.71
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.32
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4,4,5,5-tetramethyl-3-(4-phenylphenyl)pyrazolo[1,5-a]quinoline
CID 170539418
4,4,5,5-tetramethyl-7-(2-methylpropyl)-3-phenylpyrazolo[1,5-a]quinoline
CID 170539444
5-[9-(4,4,5,5-tetramethyl-3-phenylpyrazolo[1,5-a]quinolin-8-yl)carbazol-2-yl]benzimidazolo[1,2-a]benzimidazole
CID 140932316
2-iodo-5,10-dimethylphenazine
CID 70972708
1,26,26-trimethyl-14-(4,4,5,5-tetramethyl-3-phenylpyrazolo[1,5-a]quinolin-8-yl)oxy-19-(trideuteriomethyl)-10,24-diazaheptacyclo[20.3.1.03,8.09,25.011,24.012,17.018,23]hexacosa-3,5,7,9(25),10,12(17),13,15,18,20,22-undecaene
CID 156667377
9,9,10,10-tetramethyl-2,3,6,7-tetraphenylanthracene
CID 59649029
1,4,4,5,5,9-hexamethyl-3-phenylpyrrolo[1,2-a]quinoline
CID 164734136
(9aR)-7-iodo-9,9,9a-trimethyl-2-phenyl-4aH-fluorene
CID 70999804
2-iodo-9,9-di(propan-2-yl)fluorene
CID 23072844
5-(4-chlorophenyl)-4-(3-iodophenyl)-1-methylpyrazole
CID 71604582
8,8-dimethyl-3-phenyl-4,5,7,9-tetrahydropyrazolo[1,5-a]quinazolin-6-one
CID 137234334
platinum(2+);4,4,5,5-tetramethyl-3-phenyl-8-(8-pyrido[2,3-b]indol-9-yl-9H-dibenzofuran-9-id-1-yl)-9H-pyrazolo[1,5-a]quinolin-9-ide
CID 170521813

Frequently Asked Questions

What is the IUPAC name of 7-iodo-4,4,5,5-tetramethyl-3-phenylpyrazolo[1,5-a]quinoline?
The IUPAC name of 7-iodo-4,4,5,5-tetramethyl-3-phenylpyrazolo[1,5-a]quinoline (CID 137480129) is 7-iodo-4,4,5,5-tetramethyl-3-phenylpyrazolo[1,5-a]quinoline.
What is the SMILES notation for 7-iodo-4,4,5,5-tetramethyl-3-phenylpyrazolo[1,5-a]quinoline?
The canonical SMILES for 7-iodo-4,4,5,5-tetramethyl-3-phenylpyrazolo[1,5-a]quinoline is CC1(C)c2cc(I)ccc2-n2ncc(-c3ccccc3)c2C1(C)C.
What is the InChIKey of 7-iodo-4,4,5,5-tetramethyl-3-phenylpyrazolo[1,5-a]quinoline?
The InChIKey is AKZICBSXBOMGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21IN2/c1-20(2)17-12-15(22)10-11-18(17)24-19(21(20,3)4)16(13-23-24)14-8-6-5-7-9-14/h5-13H,1-4H3.
What are the key properties of 7-iodo-4,4,5,5-tetramethyl-3-phenylpyrazolo[1,5-a]quinoline?
7-iodo-4,4,5,5-tetramethyl-3-phenylpyrazolo[1,5-a]quinoline has a molecular weight of 428.32 g/mol, XLogP of 5.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-iodo-4,4,5,5-tetramethyl-3-phenylpyrazolo[1,5-a]quinoline is sourced from PubChem (CID 137480129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).