2-(3-pyrazol-1-ylphenoxy)-9-pyridin-2-ylcarbazole

C26H18N4O — CID 140794986

IUPAC2-(3-pyrazol-1-ylphenoxy)-9-pyridin-2-ylcarbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(Oc4cccc(-n5cccn5)c4)cc32)nc1
InChIInChI=1S/C26H18N4O/c1-2-10-24-22(9-1)23-13-12-21(18-25(23)30(24)26-11-3-4-14-27-26)31-20-8-5-7-19(17-20)29-16-6-15-28-29/h1-18H
InChIKeyHBUIZCLUNSHJBL-UHFFFAOYSA-N
MW402.46 g/mol
LogP6.16
Rot. Bonds4

About 2-(3-pyrazol-1-ylphenoxy)-9-pyridin-2-ylcarbazole

2-(3-pyrazol-1-ylphenoxy)-9-pyridin-2-ylcarbazole (PubChem CID 140794986) has the molecular formula C26H18N4O and a molecular weight of 402.46 g/mol. Its IUPAC name is 2-(3-pyrazol-1-ylphenoxy)-9-pyridin-2-ylcarbazole.

Molecular Properties

Compound Name2-(3-pyrazol-1-ylphenoxy)-9-pyridin-2-ylcarbazole
PubChem CID140794986
Molecular FormulaC26H18N4O
Molecular Weight402.46 g/mol
Exact Mass402.15
IUPAC Name2-(3-pyrazol-1-ylphenoxy)-9-pyridin-2-ylcarbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(Oc4cccc(-n5cccn5)c4)cc32)nc1
InChIInChI=1S/C26H18N4O/c1-2-10-24-22(9-1)23-13-12-21(18-25(23)30(24)26-11-3-4-14-27-26)31-20-8-5-7-19(17-20)29-16-6-15-28-29/h1-18H
InChIKeyHBUIZCLUNSHJBL-UHFFFAOYSA-N
XLogP6.16
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.46
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-indazol-2-ylphenoxy)-9-pyridin-2-ylcarbazole
CID 140730409
2-[3-(4-phenyltriazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 170654817
2-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 160515373
1,8-diethyl-9-[2-[2-(3-pyrazol-1-ylphenoxy)carbazol-9-yl]-4-pyridinyl]carbazole
CID 171769151
2-[(2-propan-2-yl-6-pyrazol-1-yl-4-pyridinyl)oxy]-9-pyridin-2-ylcarbazole
CID 155675531
2-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]selenopheno[3,2-c]pyrazole
CID 140731336
10-[1-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]pyrazol-4-yl]phenoxazine
CID 140730449
2-[3-[3-(4-tert-butylphenyl)-2H-triazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole
CID 162274979
22-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-20,22-diazahexacyclo[18.6.1.02,7.08,13.014,19.023,27]heptacosa-1(27),2,4,6,8,10,12,14,16,18,23,25-dodecaene
CID 176821515
9-pyridin-2-yl-2-[3-(5-pyridin-3-ylpyrazol-1-yl)phenoxy]carbazole
CID 140729993
2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole
CID 155651623
2-[3-(3,5-dimethyl-4-pyridin-2-ylpyrazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 140729894

Frequently Asked Questions

What is the IUPAC name of 2-(3-pyrazol-1-ylphenoxy)-9-pyridin-2-ylcarbazole?
The IUPAC name of 2-(3-pyrazol-1-ylphenoxy)-9-pyridin-2-ylcarbazole (CID 140794986) is 2-(3-pyrazol-1-ylphenoxy)-9-pyridin-2-ylcarbazole.
What is the SMILES notation for 2-(3-pyrazol-1-ylphenoxy)-9-pyridin-2-ylcarbazole?
The canonical SMILES for 2-(3-pyrazol-1-ylphenoxy)-9-pyridin-2-ylcarbazole is c1ccc(-n2c3ccccc3c3ccc(Oc4cccc(-n5cccn5)c4)cc32)nc1.
What is the InChIKey of 2-(3-pyrazol-1-ylphenoxy)-9-pyridin-2-ylcarbazole?
The InChIKey is HBUIZCLUNSHJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N4O/c1-2-10-24-22(9-1)23-13-12-21(18-25(23)30(24)26-11-3-4-14-27-26)31-20-8-5-7-19(17-20)29-16-6-15-28-29/h1-18H.
What are the key properties of 2-(3-pyrazol-1-ylphenoxy)-9-pyridin-2-ylcarbazole?
2-(3-pyrazol-1-ylphenoxy)-9-pyridin-2-ylcarbazole has a molecular weight of 402.46 g/mol, XLogP of 6.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pyrazol-1-ylphenoxy)-9-pyridin-2-ylcarbazole is sourced from PubChem (CID 140794986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).