2-[3-[3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole

C37H32N4O — CID 140729932

IUPAC2-[3-[3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole
SMILESCc1cc(C)c(-c2c(C)nn(-c3cccc(Oc4ccc5c6ccccc6n(-c6ccccn6)c5c4)c3)c2C)c(C)c1
InChIInChI=1S/C37H32N4O/c1-23-19-24(2)36(25(3)20-23)37-26(4)39-41(27(37)5)28-11-10-12-29(21-28)42-30-16-17-32-31-13-6-7-14-33(31)40(34(32)22-30)35-15-8-9-18-38-35/h6-22H,1-5H3
InChIKeyQTMUGTQKWIWXPZ-UHFFFAOYSA-N
MW548.69 g/mol
LogP9.37
Rot. Bonds5

About 2-[3-[3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole

2-[3-[3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole (PubChem CID 140729932) has the molecular formula C37H32N4O and a molecular weight of 548.69 g/mol. Its IUPAC name is 2-[3-[3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole.

Molecular Properties

Compound Name2-[3-[3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole
PubChem CID140729932
Molecular FormulaC37H32N4O
Molecular Weight548.69 g/mol
Exact Mass548.26
IUPAC Name2-[3-[3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole
SMILESCc1cc(C)c(-c2c(C)nn(-c3cccc(Oc4ccc5c6ccccc6n(-c6ccccn6)c5c4)c3)c2C)c(C)c1
InChIInChI=1S/C37H32N4O/c1-23-19-24(2)36(25(3)20-23)37-26(4)39-41(27(37)5)28-11-10-12-29(21-28)42-30-16-17-32-31-13-6-7-14-33(31)40(34(32)22-30)35-15-8-9-18-38-35/h6-22H,1-5H3
InChIKeyQTMUGTQKWIWXPZ-UHFFFAOYSA-N
XLogP9.37
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.69
LogP ≤ 59.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(3,5-dimethyl-4-pyridin-2-ylpyrazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 140729894
2-[3-[4-(2,6-dimethyl-4-pyridin-2-ylphenyl)-3,5-dimethylpyrazol-1-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole
CID 153416511
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-(4-methyl-2,6-diphenoxyphenyl)pyrazol-1-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole
CID 153416946
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-(2-methyl-6-propan-2-ylphenyl)pyrazol-1-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole
CID 153417295
2-[3-[4-(2,6-dimethylphenyl)-3,5-dimethylpyrazol-1-yl]-5-methylphenoxy]-9-(4-fluoro-2-pyridinyl)carbazole
CID 153443425
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-(3,4,5-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-ethoxy-2-pyridinyl)carbazole
CID 153415656
2-[3-[4-[4-tert-butyl-2-methyl-6-(3-methylbutyl)phenyl]-3,5-dimethylpyrazol-1-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole
CID 153416758
2-[3-[3,5-dimethyl-4-(2,3,4,5,6-pentamethylphenyl)pyrazol-1-yl]-5-methylphenoxy]-9-(4-fluoro-2-pyridinyl)carbazole
CID 153443616

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole?
The IUPAC name of 2-[3-[3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole (CID 140729932) is 2-[3-[3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole.
What is the SMILES notation for 2-[3-[3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole?
The canonical SMILES for 2-[3-[3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole is Cc1cc(C)c(-c2c(C)nn(-c3cccc(Oc4ccc5c6ccccc6n(-c6ccccn6)c5c4)c3)c2C)c(C)c1.
What is the InChIKey of 2-[3-[3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole?
The InChIKey is QTMUGTQKWIWXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H32N4O/c1-23-19-24(2)36(25(3)20-23)37-26(4)39-41(27(37)5)28-11-10-12-29(21-28)42-30-16-17-32-31-13-6-7-14-33(31)40(34(32)22-30)35-15-8-9-18-38-35/h6-22H,1-5H3.
What are the key properties of 2-[3-[3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole?
2-[3-[3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole has a molecular weight of 548.69 g/mol, XLogP of 9.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole is sourced from PubChem (CID 140729932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).