(3-hydroxypyrrolidin-1-yl)-[6-methyl-9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]methanone

C25H21F3N2O2 — CID 162680943

IUPAC(3-hydroxypyrrolidin-1-yl)-[6-methyl-9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]methanone
SMILESCc1ccc2c(c1)c1cc(C(=O)N3CCC(O)C3)ccc1n2-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C25H21F3N2O2/c1-15-2-8-22-20(12-15)21-13-16(24(32)29-11-10-19(31)14-29)3-9-23(21)30(22)18-6-4-17(5-7-18)25(26,27)28/h2-9,12-13,19,31H,10-11,14H2,1H3
InChIKeyHQEZNSPMFXBQJD-UHFFFAOYSA-N
MW438.45 g/mol
LogP5.32
Rot. Bonds2

About (3-hydroxypyrrolidin-1-yl)-[6-methyl-9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]methanone

(3-hydroxypyrrolidin-1-yl)-[6-methyl-9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]methanone (PubChem CID 162680943) has the molecular formula C25H21F3N2O2 and a molecular weight of 438.45 g/mol. Its IUPAC name is (3-hydroxypyrrolidin-1-yl)-[6-methyl-9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]methanone.

Molecular Properties

Compound Name(3-hydroxypyrrolidin-1-yl)-[6-methyl-9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]methanone
PubChem CID162680943
Molecular FormulaC25H21F3N2O2
Molecular Weight438.45 g/mol
Exact Mass438.16
IUPAC Name(3-hydroxypyrrolidin-1-yl)-[6-methyl-9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]methanone
SMILESCc1ccc2c(c1)c1cc(C(=O)N3CCC(O)C3)ccc1n2-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C25H21F3N2O2/c1-15-2-8-22-20(12-15)21-13-16(24(32)29-11-10-19(31)14-29)3-9-23(21)30(22)18-6-4-17(5-7-18)25(26,27)28/h2-9,12-13,19,31H,10-11,14H2,1H3
InChIKeyHQEZNSPMFXBQJD-UHFFFAOYSA-N
XLogP5.32
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.45
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-3-hydroxypyrrolidin-1-yl]-[4-methyl-3-(trifluoromethyl)phenyl]methanone
CID 143518855
[(3S)-3-hydroxypiperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 93032469
(4-hydroxypiperidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 139087671
(4-hydroxy-3-methylphenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 59238538
(4-tert-butylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 58949513
(3-fluoro-4-methylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66262037
[4-amino-3-(trifluoromethyl)phenyl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 62942525
5-methyl-9-[4-(trifluoromethyl)phenyl]carbazole-3-carboxylic acid
CID 162680935
6-cyano-9-[4-(trifluoromethyl)phenyl]carbazole-3-carboxylic acid
CID 162680923
(2,5-dimethylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66291160
(3-hydroxypyrrolidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 62917121
N-[1-(4-methylbenzoyl)piperidin-4-yl]-4-(trifluoromethyl)benzamide
CID 108558531

Frequently Asked Questions

What is the IUPAC name of (3-hydroxypyrrolidin-1-yl)-[6-methyl-9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]methanone?
The IUPAC name of (3-hydroxypyrrolidin-1-yl)-[6-methyl-9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]methanone (CID 162680943) is (3-hydroxypyrrolidin-1-yl)-[6-methyl-9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]methanone.
What is the SMILES notation for (3-hydroxypyrrolidin-1-yl)-[6-methyl-9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]methanone?
The canonical SMILES for (3-hydroxypyrrolidin-1-yl)-[6-methyl-9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]methanone is Cc1ccc2c(c1)c1cc(C(=O)N3CCC(O)C3)ccc1n2-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (3-hydroxypyrrolidin-1-yl)-[6-methyl-9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]methanone?
The InChIKey is HQEZNSPMFXBQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N2O2/c1-15-2-8-22-20(12-15)21-13-16(24(32)29-11-10-19(31)14-29)3-9-23(21)30(22)18-6-4-17(5-7-18)25(26,27)28/h2-9,12-13,19,31H,10-11,14H2,1H3.
What are the key properties of (3-hydroxypyrrolidin-1-yl)-[6-methyl-9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]methanone?
(3-hydroxypyrrolidin-1-yl)-[6-methyl-9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]methanone has a molecular weight of 438.45 g/mol, XLogP of 5.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxypyrrolidin-1-yl)-[6-methyl-9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]methanone is sourced from PubChem (CID 162680943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).