1-(3,6-diiodocarbazol-9-yl)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol

C20H19I2N3O — CID 2859839

IUPAC1-(3,6-diiodocarbazol-9-yl)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol
SMILESCc1cc(C)n(CC(O)Cn2c3ccc(I)cc3c3cc(I)ccc32)n1
InChIInChI=1S/C20H19I2N3O/c1-12-7-13(2)25(23-12)11-16(26)10-24-19-5-3-14(21)8-17(19)18-9-15(22)4-6-20(18)24/h3-9,16,26H,10-11H2,1-2H3
InChIKeyLCIMYZQYBILEQE-UHFFFAOYSA-N
MW571.20 g/mol
LogP4.88
Rot. Bonds4

About 1-(3,6-diiodocarbazol-9-yl)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol

1-(3,6-diiodocarbazol-9-yl)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol (PubChem CID 2859839) has the molecular formula C20H19I2N3O and a molecular weight of 571.20 g/mol. Its IUPAC name is 1-(3,6-diiodocarbazol-9-yl)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(3,6-diiodocarbazol-9-yl)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol
PubChem CID2859839
Molecular FormulaC20H19I2N3O
Molecular Weight571.20 g/mol
Exact Mass570.96
IUPAC Name1-(3,6-diiodocarbazol-9-yl)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol
SMILESCc1cc(C)n(CC(O)Cn2c3ccc(I)cc3c3cc(I)ccc32)n1
InChIInChI=1S/C20H19I2N3O/c1-12-7-13(2)25(23-12)11-16(26)10-24-19-5-3-14(21)8-17(19)18-9-15(22)4-6-20(18)24/h3-9,16,26H,10-11H2,1-2H3
InChIKeyLCIMYZQYBILEQE-UHFFFAOYSA-N
XLogP4.88
TPSA42.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.20
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3,6-diiodocarbazol-9-yl)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol?
The IUPAC name of 1-(3,6-diiodocarbazol-9-yl)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol (CID 2859839) is 1-(3,6-diiodocarbazol-9-yl)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-(3,6-diiodocarbazol-9-yl)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol?
The canonical SMILES for 1-(3,6-diiodocarbazol-9-yl)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol is Cc1cc(C)n(CC(O)Cn2c3ccc(I)cc3c3cc(I)ccc32)n1.
What is the InChIKey of 1-(3,6-diiodocarbazol-9-yl)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol?
The InChIKey is LCIMYZQYBILEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19I2N3O/c1-12-7-13(2)25(23-12)11-16(26)10-24-19-5-3-14(21)8-17(19)18-9-15(22)4-6-20(18)24/h3-9,16,26H,10-11H2,1-2H3.
What are the key properties of 1-(3,6-diiodocarbazol-9-yl)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol?
1-(3,6-diiodocarbazol-9-yl)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol has a molecular weight of 571.20 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-diiodocarbazol-9-yl)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol is sourced from PubChem (CID 2859839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).