2-[3-(4-phenylpyrazol-1-yl)phenoxy]-9-[4-(trifluoromethyl)-2-pyridinyl]carbazole

C33H21F3N4O — CID 86343603

IUPAC2-[3-(4-phenylpyrazol-1-yl)phenoxy]-9-[4-(trifluoromethyl)-2-pyridinyl]carbazole
SMILESFC(F)(F)c1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(-n5cc(-c6ccccc6)cn5)c4)cc32)c1
InChIInChI=1S/C33H21F3N4O/c34-33(35,36)24-15-16-37-32(17-24)40-30-12-5-4-11-28(30)29-14-13-27(19-31(29)40)41-26-10-6-9-25(18-26)39-21-23(20-38-39)22-7-2-1-3-8-22/h1-21H
InChIKeyWYCGHXZPIITFNU-UHFFFAOYSA-N
MW546.55 g/mol
LogP8.84
Rot. Bonds5

About 2-[3-(4-phenylpyrazol-1-yl)phenoxy]-9-[4-(trifluoromethyl)-2-pyridinyl]carbazole

2-[3-(4-phenylpyrazol-1-yl)phenoxy]-9-[4-(trifluoromethyl)-2-pyridinyl]carbazole (PubChem CID 86343603) has the molecular formula C33H21F3N4O and a molecular weight of 546.55 g/mol. Its IUPAC name is 2-[3-(4-phenylpyrazol-1-yl)phenoxy]-9-[4-(trifluoromethyl)-2-pyridinyl]carbazole.

Molecular Properties

Compound Name2-[3-(4-phenylpyrazol-1-yl)phenoxy]-9-[4-(trifluoromethyl)-2-pyridinyl]carbazole
PubChem CID86343603
Molecular FormulaC33H21F3N4O
Molecular Weight546.55 g/mol
Exact Mass546.17
IUPAC Name2-[3-(4-phenylpyrazol-1-yl)phenoxy]-9-[4-(trifluoromethyl)-2-pyridinyl]carbazole
SMILESFC(F)(F)c1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(-n5cc(-c6ccccc6)cn5)c4)cc32)c1
InChIInChI=1S/C33H21F3N4O/c34-33(35,36)24-15-16-37-32(17-24)40-30-12-5-4-11-28(30)29-14-13-27(19-31(29)40)41-26-10-6-9-25(18-26)39-21-23(20-38-39)22-7-2-1-3-8-22/h1-21H
InChIKeyWYCGHXZPIITFNU-UHFFFAOYSA-N
XLogP8.84
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.55
LogP ≤ 58.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-Dimethyl-3-(4-(3-(4-quinolinyl)pyrazolo(1,5-a)pyrimidin-6-yl)phenoxy)-1-propanamine
CID 50997749
(1E)-1-({4-[(4-fluorophenyl)methoxy]phenyl}methylidene)-2-[1-(3-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
CID 91068408
(1S,3S)-N1-((1,3-dimethyl-1H-pyrazol-4-yl)methyl)-N3-(7-methoxy-4-methylquinolin-2-yl)cyclohexane-1,3-diamine
CID 11211551
6-[4-[4-[2-(1-methyl-1H-pyrazol-5-yl)ethoxy]phenyl]piperidin-1-yl]-3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazine
CID 42635876
6-(2-Fluoro-6-methoxyphenyl)-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]pyrazolo[4,3-c]pyridine
CID 162643523
6-(2-Fluoro-6-methoxyphenyl)-1-(6-pyrrolidin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridine
CID 162659515
(3S)-1-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
CID 162661880
6-(2-Fluoro-6-methoxyphenyl)-1-(6-piperidin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridine
CID 162675458
3-(1-Methylpyrazol-4-yl)-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
CID 57960800
US10266548, Example 2-14-2
CID 71553452
5-[(3-Cyclohexyl-2-pyridinyl)oxy]-1-pyridin-2-ylindazole
CID 86766337
US10954240, Example 42
CID 118930246

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-phenylpyrazol-1-yl)phenoxy]-9-[4-(trifluoromethyl)-2-pyridinyl]carbazole?
The IUPAC name of 2-[3-(4-phenylpyrazol-1-yl)phenoxy]-9-[4-(trifluoromethyl)-2-pyridinyl]carbazole (CID 86343603) is 2-[3-(4-phenylpyrazol-1-yl)phenoxy]-9-[4-(trifluoromethyl)-2-pyridinyl]carbazole.
What is the SMILES notation for 2-[3-(4-phenylpyrazol-1-yl)phenoxy]-9-[4-(trifluoromethyl)-2-pyridinyl]carbazole?
The canonical SMILES for 2-[3-(4-phenylpyrazol-1-yl)phenoxy]-9-[4-(trifluoromethyl)-2-pyridinyl]carbazole is FC(F)(F)c1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(-n5cc(-c6ccccc6)cn5)c4)cc32)c1.
What is the InChIKey of 2-[3-(4-phenylpyrazol-1-yl)phenoxy]-9-[4-(trifluoromethyl)-2-pyridinyl]carbazole?
The InChIKey is WYCGHXZPIITFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21F3N4O/c34-33(35,36)24-15-16-37-32(17-24)40-30-12-5-4-11-28(30)29-14-13-27(19-31(29)40)41-26-10-6-9-25(18-26)39-21-23(20-38-39)22-7-2-1-3-8-22/h1-21H.
What are the key properties of 2-[3-(4-phenylpyrazol-1-yl)phenoxy]-9-[4-(trifluoromethyl)-2-pyridinyl]carbazole?
2-[3-(4-phenylpyrazol-1-yl)phenoxy]-9-[4-(trifluoromethyl)-2-pyridinyl]carbazole has a molecular weight of 546.55 g/mol, XLogP of 8.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-phenylpyrazol-1-yl)phenoxy]-9-[4-(trifluoromethyl)-2-pyridinyl]carbazole is sourced from PubChem (CID 86343603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).