4-(4-fluorophenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one

C20H21FN2O — CID 148630063

IUPAC4-(4-fluorophenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one
SMILESCc1[nH]nc2c1C(c1ccc(F)cc1)C1=C(C2)CC(C)(C)CC1=O
InChIInChI=1S/C20H21FN2O/c1-11-17-15(23-22-11)8-13-9-20(2,3)10-16(24)18(13)19(17)12-4-6-14(21)7-5-12/h4-7,19H,8-10H2,1-3H3,(H,22,23)
InChIKeyNHYXVTORLKODSI-UHFFFAOYSA-N
MW324.40 g/mol
LogP4.23
Rot. Bonds1

About 4-(4-fluorophenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one

4-(4-fluorophenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one (PubChem CID 148630063) has the molecular formula C20H21FN2O and a molecular weight of 324.40 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one
PubChem CID148630063
Molecular FormulaC20H21FN2O
Molecular Weight324.40 g/mol
Exact Mass324.16
IUPAC Name4-(4-fluorophenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one
SMILESCc1[nH]nc2c1C(c1ccc(F)cc1)C1=C(C2)CC(C)(C)CC1=O
InChIInChI=1S/C20H21FN2O/c1-11-17-15(23-22-11)8-13-9-20(2,3)10-16(24)18(13)19(17)12-4-6-14(21)7-5-12/h4-7,19H,8-10H2,1-3H3,(H,22,23)
InChIKeyNHYXVTORLKODSI-UHFFFAOYSA-N
XLogP4.23
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(4-fluorophenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one with MolForge

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Related Compounds

3,7,7-trimethyl-4-phenyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one
CID 157464507
4-(4-chlorophenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one
CID 157214582
3-methyl-4-phenylspiro[4,6,8,9-tetrahydro-2H-benzo[f]indazole-7,1'-cyclopropane]-5-one
CID 153258879
(4S)-4-(4-hydroxyphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5-one
CID 1474563
(4R)-4-(4-fluorophenyl)-7,7-dimethyl-1,2,4,6,8,9-hexahydropyrazolo[3,4-b]quinoline-3,5-dione
CID 27878221
9-(4-fluorophenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione
CID 632712
N-[4-[(4S)-3,7,7-trimethyl-5-oxo-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-4-yl]phenyl]acetamide
CID 1478031
4-(2-methoxyphenyl)-3-methyl-2,4,6,7,8,9-hexahydrobenzo[f]indazol-5-one
CID 160550630
10-cyclopropyl-9-(4-fluorophenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
CID 11668641
4-(2,1,3-benzoxadiazol-4-yl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;4-(5-bromo-2-pyridinyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;4-cyclopropyl-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;3,4,7,7-tetramethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;3,7,7-trimethyl-4-(1H-pyrazol-5-yl)-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;3,7,7-trimethyl-4-pyridin-4-yl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one
CID 159499266
9-(4-fluorophenyl)-3,3,6,6-tetramethyl-2,4,5,8,9,10-hexahydroacridine-1,7-dione
CID 102459228
4-(3-hydroxyphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5-one
CID 2998075

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one?
The IUPAC name of 4-(4-fluorophenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one (CID 148630063) is 4-(4-fluorophenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one.
What is the SMILES notation for 4-(4-fluorophenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one?
The canonical SMILES for 4-(4-fluorophenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one is Cc1[nH]nc2c1C(c1ccc(F)cc1)C1=C(C2)CC(C)(C)CC1=O.
What is the InChIKey of 4-(4-fluorophenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one?
The InChIKey is NHYXVTORLKODSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O/c1-11-17-15(23-22-11)8-13-9-20(2,3)10-16(24)18(13)19(17)12-4-6-14(21)7-5-12/h4-7,19H,8-10H2,1-3H3,(H,22,23).
What are the key properties of 4-(4-fluorophenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one?
4-(4-fluorophenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one has a molecular weight of 324.40 g/mol, XLogP of 4.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one is sourced from PubChem (CID 148630063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).