2-[3-(3,5-dimethyl-4-pyridin-2-ylpyrazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole

C33H25N5O — CID 140729894

IUPAC2-[3-(3,5-dimethyl-4-pyridin-2-ylpyrazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
SMILESCc1nn(-c2cccc(Oc3ccc4c5ccccc5n(-c5ccccn5)c4c3)c2)c(C)c1-c1ccccn1
InChIInChI=1S/C33H25N5O/c1-22-33(29-13-5-7-18-34-29)23(2)38(36-22)24-10-9-11-25(20-24)39-26-16-17-28-27-12-3-4-14-30(27)37(31(28)21-26)32-15-6-8-19-35-32/h3-21H,1-2H3
InChIKeyCQYNDFOEEFRAQD-UHFFFAOYSA-N
MW507.60 g/mol
LogP7.84
Rot. Bonds5

About 2-[3-(3,5-dimethyl-4-pyridin-2-ylpyrazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole

2-[3-(3,5-dimethyl-4-pyridin-2-ylpyrazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole (PubChem CID 140729894) has the molecular formula C33H25N5O and a molecular weight of 507.60 g/mol. Its IUPAC name is 2-[3-(3,5-dimethyl-4-pyridin-2-ylpyrazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole.

Molecular Properties

Compound Name2-[3-(3,5-dimethyl-4-pyridin-2-ylpyrazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
PubChem CID140729894
Molecular FormulaC33H25N5O
Molecular Weight507.60 g/mol
Exact Mass507.21
IUPAC Name2-[3-(3,5-dimethyl-4-pyridin-2-ylpyrazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
SMILESCc1nn(-c2cccc(Oc3ccc4c5ccccc5n(-c5ccccn5)c4c3)c2)c(C)c1-c1ccccn1
InChIInChI=1S/C33H25N5O/c1-22-33(29-13-5-7-18-34-29)23(2)38(36-22)24-10-9-11-25(20-24)39-26-16-17-28-27-12-3-4-14-30(27)37(31(28)21-26)32-15-6-8-19-35-32/h3-21H,1-2H3
InChIKeyCQYNDFOEEFRAQD-UHFFFAOYSA-N
XLogP7.84
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.60
LogP ≤ 57.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole
CID 140729932
2-[3-[4-(2,6-dimethyl-4-pyridin-2-ylphenyl)-3,5-dimethylpyrazol-1-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole
CID 153416511
6-deuterio-9-(4-deuterio-2-pyridinyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]carbazole
CID 153440759
2-[3-[3,5-dimethyl-4-(2,3,4,5,6-pentafluorophenyl)pyrazol-1-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole
CID 153417870
2-[3-[3,5-dimethyl-4-(2,4,6-trifluorophenyl)pyrazol-1-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole
CID 153416830
2-[3-[3,5-dimethyl-4-(4-methyl-2,6-diphenoxyphenyl)pyrazol-1-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole
CID 153416946
2-[3-[4-(2,6-dimethyl-4-phenylphenyl)-3,5-dimethylpyrazol-1-yl]phenoxy]-9-(4-methoxy-2-pyridinyl)carbazole
CID 153443608
2-[3-[3,5-dimethyl-4-(3,4,5-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-ethoxy-2-pyridinyl)carbazole
CID 153415656
2-[3-[3,5-dimethyl-4-(2-methyl-6-propan-2-ylphenyl)pyrazol-1-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole
CID 153417295
2-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 160515373
9-(4-deuterio-2-pyridinyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]-6-propylcarbazole
CID 153441096
2-(3-pyrazol-1-ylphenoxy)-9-pyridin-2-ylcarbazole
CID 140794986

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-dimethyl-4-pyridin-2-ylpyrazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole?
The IUPAC name of 2-[3-(3,5-dimethyl-4-pyridin-2-ylpyrazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole (CID 140729894) is 2-[3-(3,5-dimethyl-4-pyridin-2-ylpyrazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole.
What is the SMILES notation for 2-[3-(3,5-dimethyl-4-pyridin-2-ylpyrazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole?
The canonical SMILES for 2-[3-(3,5-dimethyl-4-pyridin-2-ylpyrazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole is Cc1nn(-c2cccc(Oc3ccc4c5ccccc5n(-c5ccccn5)c4c3)c2)c(C)c1-c1ccccn1.
What is the InChIKey of 2-[3-(3,5-dimethyl-4-pyridin-2-ylpyrazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole?
The InChIKey is CQYNDFOEEFRAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25N5O/c1-22-33(29-13-5-7-18-34-29)23(2)38(36-22)24-10-9-11-25(20-24)39-26-16-17-28-27-12-3-4-14-30(27)37(31(28)21-26)32-15-6-8-19-35-32/h3-21H,1-2H3.
What are the key properties of 2-[3-(3,5-dimethyl-4-pyridin-2-ylpyrazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole?
2-[3-(3,5-dimethyl-4-pyridin-2-ylpyrazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole has a molecular weight of 507.60 g/mol, XLogP of 7.84, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,5-dimethyl-4-pyridin-2-ylpyrazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole is sourced from PubChem (CID 140729894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).