2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-pyrimidin-2-ylcarbazole

C27H21N5O — CID 86344157

IUPAC2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-pyrimidin-2-ylcarbazole
SMILESCc1cc(C)n(-c2cccc(Oc3ccc4c5ccccc5n(-c5ncccn5)c4c3)c2)n1
InChIInChI=1S/C27H21N5O/c1-18-15-19(2)32(30-18)20-7-5-8-21(16-20)33-22-11-12-24-23-9-3-4-10-25(23)31(26(24)17-22)27-28-13-6-14-29-27/h3-17H,1-2H3
InChIKeyWNXZLXZPUSMGES-UHFFFAOYSA-N
MW431.50 g/mol
LogP6.17
Rot. Bonds4

About 2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-pyrimidin-2-ylcarbazole

2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-pyrimidin-2-ylcarbazole (PubChem CID 86344157) has the molecular formula C27H21N5O and a molecular weight of 431.50 g/mol. Its IUPAC name is 2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-pyrimidin-2-ylcarbazole.

Molecular Properties

Compound Name2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-pyrimidin-2-ylcarbazole
PubChem CID86344157
Molecular FormulaC27H21N5O
Molecular Weight431.50 g/mol
Exact Mass431.17
IUPAC Name2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-pyrimidin-2-ylcarbazole
SMILESCc1cc(C)n(-c2cccc(Oc3ccc4c5ccccc5n(-c5ncccn5)c4c3)c2)n1
InChIInChI=1S/C27H21N5O/c1-18-15-19(2)32(30-18)20-7-5-8-21(16-20)33-22-11-12-24-23-9-3-4-10-25(23)31(26(24)17-22)27-28-13-6-14-29-27/h3-17H,1-2H3
InChIKeyWNXZLXZPUSMGES-UHFFFAOYSA-N
XLogP6.17
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.50
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-pyrimidin-2-ylcarbazole with MolForge

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

Launch Full Analysis

Related Compounds

2-[2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]carbazol-9-yl]-N,N-dimethylpyridin-4-amine;platinum
CID 158641122
9-[2-[2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]carbazol-9-yl]-3,5-dimethyl-4-pyridinyl]-1,3,6,8-tetramethylcarbazole
CID 171769468
2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole;platinum(2+)
CID 159758959
9-[2-[2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]carbazol-9-yl]-3-methyl-4-pyridinyl]-1,8-diethylcarbazole
CID 171769142
2-[3-(3,5-dimethylpyrazol-1-yl)-5-isocyanophenoxy]-9-pyridin-2-ylcarbazole
CID 155622974
2-[[5-(3-phenyl-2H-imidazol-1-yl)-3-pyridinyl]oxy]-9-pyrimidin-2-ylcarbazole
CID 161093369
2-[3-(3,5-dimethyl-4-pyridin-2-ylpyrazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 140729894
[3-(3,5-dimethylpyrazol-1-yl)phenyl]-diphenyl-(9-pyridin-2-ylcarbazol-2-yl)silane
CID 155636088
6-tert-butyl-2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-[4-[1,8-di(propan-2-yl)carbazol-9-yl]-2-pyridinyl]carbazole
CID 171769241
2-[3-[3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole
CID 140729932
2-(3-pyrazol-1-ylphenoxy)-9-pyridin-2-ylcarbazole
CID 140794986
9-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(1-pyridin-2-ylcyclohexyl)carbazole
CID 140716002

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-pyrimidin-2-ylcarbazole?
The IUPAC name of 2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-pyrimidin-2-ylcarbazole (CID 86344157) is 2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-pyrimidin-2-ylcarbazole.
What is the SMILES notation for 2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-pyrimidin-2-ylcarbazole?
The canonical SMILES for 2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-pyrimidin-2-ylcarbazole is Cc1cc(C)n(-c2cccc(Oc3ccc4c5ccccc5n(-c5ncccn5)c4c3)c2)n1.
What is the InChIKey of 2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-pyrimidin-2-ylcarbazole?
The InChIKey is WNXZLXZPUSMGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N5O/c1-18-15-19(2)32(30-18)20-7-5-8-21(16-20)33-22-11-12-24-23-9-3-4-10-25(23)31(26(24)17-22)27-28-13-6-14-29-27/h3-17H,1-2H3.
What are the key properties of 2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-pyrimidin-2-ylcarbazole?
2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-pyrimidin-2-ylcarbazole has a molecular weight of 431.50 g/mol, XLogP of 6.17, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-pyrimidin-2-ylcarbazole is sourced from PubChem (CID 86344157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).