1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol

C20H18BrCl2N3O — CID 2858692

IUPAC1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol
SMILESCc1nn(CC(O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)c(C)c1Br
InChIInChI=1S/C20H18BrCl2N3O/c1-11-20(21)12(2)26(24-11)10-15(27)9-25-18-5-3-13(22)7-16(18)17-8-14(23)4-6-19(17)25/h3-8,15,27H,9-10H2,1-2H3
InChIKeyMXQVBBJHGDXHCE-UHFFFAOYSA-N
MW467.19 g/mol
LogP5.74
Rot. Bonds4

About 1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol

1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol (PubChem CID 2858692) has the molecular formula C20H18BrCl2N3O and a molecular weight of 467.19 g/mol. Its IUPAC name is 1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol.

Molecular Properties

Compound Name1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol
PubChem CID2858692
Molecular FormulaC20H18BrCl2N3O
Molecular Weight467.19 g/mol
Exact Mass465.00
IUPAC Name1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol
SMILESCc1nn(CC(O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)c(C)c1Br
InChIInChI=1S/C20H18BrCl2N3O/c1-11-20(21)12(2)26(24-11)10-15(27)9-25-18-5-3-13(22)7-16(18)17-8-14(23)4-6-19(17)25/h3-8,15,27H,9-10H2,1-2H3
InChIKeyMXQVBBJHGDXHCE-UHFFFAOYSA-N
XLogP5.74
TPSA42.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.19
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol?
The IUPAC name of 1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol (CID 2858692) is 1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol.
What is the SMILES notation for 1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol?
The canonical SMILES for 1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol is Cc1nn(CC(O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)c(C)c1Br.
What is the InChIKey of 1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol?
The InChIKey is MXQVBBJHGDXHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrCl2N3O/c1-11-20(21)12(2)26(24-11)10-15(27)9-25-18-5-3-13(22)7-16(18)17-8-14(23)4-6-19(17)25/h3-8,15,27H,9-10H2,1-2H3.
What are the key properties of 1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol?
1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol has a molecular weight of 467.19 g/mol, XLogP of 5.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol is sourced from PubChem (CID 2858692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).