1-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-2-phenylethanone

C23H21FN2O — CID 66919599

IUPAC1-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-2-phenylethanone
SMILESCC1=Cc2c(cnn2-c2ccc(F)cc2)CC1(C)C(=O)Cc1ccccc1
InChIInChI=1S/C23H21FN2O/c1-16-12-21-18(15-25-26(21)20-10-8-19(24)9-11-20)14-23(16,2)22(27)13-17-6-4-3-5-7-17/h3-12,15H,13-14H2,1-2H3
InChIKeyDOVKRFDWVFHBDA-UHFFFAOYSA-N
MW360.43 g/mol
LogP4.79
Rot. Bonds4

About 1-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-2-phenylethanone

1-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-2-phenylethanone (PubChem CID 66919599) has the molecular formula C23H21FN2O and a molecular weight of 360.43 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-2-phenylethanone
PubChem CID66919599
Molecular FormulaC23H21FN2O
Molecular Weight360.43 g/mol
Exact Mass360.16
IUPAC Name1-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-2-phenylethanone
SMILESCC1=Cc2c(cnn2-c2ccc(F)cc2)CC1(C)C(=O)Cc1ccccc1
InChIInChI=1S/C23H21FN2O/c1-16-12-21-18(15-25-26(21)20-10-8-19(24)9-11-20)14-23(16,2)22(27)13-17-6-4-3-5-7-17/h3-12,15H,13-14H2,1-2H3
InChIKeyDOVKRFDWVFHBDA-UHFFFAOYSA-N
XLogP4.79
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-2-phenylethanol
CID 15605657
N-[[(5S)-1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]methyl]-2-phenylacetamide
CID 66919372
N-benzyl-2-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]ethanamine
CID 66919606
1-(4-fluorophenyl)-5,6-dimethyl-5-(2-phenylethenyl)-4H-indazole
CID 66919534
1-(4-fluorophenyl)-2-[(5S)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]ethanol
CID 66919502
(4aS)-6-benzyl-1-(4-fluorophenyl)-4a-methyl-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinoline
CID 58333317
6-benzyl-1-(4-fluorophenyl)-4a-methyl-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinoline
CID 67096931
2-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-(2-methoxyphenyl)ethanol
CID 66919428
(4aS)-1-(4-fluorophenyl)-4a-methyl-6-(2-phenylethyl)-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinoline
CID 163638478
2-[(3S)-3-[6-ethyl-1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]-3-hydroxypropyl]benzoic acid
CID 173382163
N-[[1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]methyl]-1-phenylcyclopropane-1-carboxamide
CID 66919657
(4aS)-1-(4-fluorophenyl)-4a,7-dimethyl-4H-cyclopenta[f]indazol-5-one
CID 58713685

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-2-phenylethanone?
The IUPAC name of 1-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-2-phenylethanone (CID 66919599) is 1-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-2-phenylethanone.
What is the SMILES notation for 1-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-2-phenylethanone?
The canonical SMILES for 1-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-2-phenylethanone is CC1=Cc2c(cnn2-c2ccc(F)cc2)CC1(C)C(=O)Cc1ccccc1.
What is the InChIKey of 1-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-2-phenylethanone?
The InChIKey is DOVKRFDWVFHBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O/c1-16-12-21-18(15-25-26(21)20-10-8-19(24)9-11-20)14-23(16,2)22(27)13-17-6-4-3-5-7-17/h3-12,15H,13-14H2,1-2H3.
What are the key properties of 1-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-2-phenylethanone?
1-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-2-phenylethanone has a molecular weight of 360.43 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-2-phenylethanone is sourced from PubChem (CID 66919599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).