1-(4-fluorophenyl)-5,6-dimethyl-5-(2-phenylethenyl)-4H-indazole

C23H21FN2 — CID 66919534

IUPAC1-(4-fluorophenyl)-5,6-dimethyl-5-(2-phenylethenyl)-4H-indazole
SMILESCC1=Cc2c(cnn2-c2ccc(F)cc2)CC1(C)C=Cc1ccccc1
InChIInChI=1S/C23H21FN2/c1-17-14-22-19(16-25-26(22)21-10-8-20(24)9-11-21)15-23(17,2)13-12-18-6-4-3-5-7-18/h3-14,16H,15H2,1-2H3
InChIKeyBUPBFEAZQRKECM-UHFFFAOYSA-N
MW344.43 g/mol
LogP5.69
Rot. Bonds3

About 1-(4-fluorophenyl)-5,6-dimethyl-5-(2-phenylethenyl)-4H-indazole

1-(4-fluorophenyl)-5,6-dimethyl-5-(2-phenylethenyl)-4H-indazole (PubChem CID 66919534) has the molecular formula C23H21FN2 and a molecular weight of 344.43 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5,6-dimethyl-5-(2-phenylethenyl)-4H-indazole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5,6-dimethyl-5-(2-phenylethenyl)-4H-indazole
PubChem CID66919534
Molecular FormulaC23H21FN2
Molecular Weight344.43 g/mol
Exact Mass344.17
IUPAC Name1-(4-fluorophenyl)-5,6-dimethyl-5-(2-phenylethenyl)-4H-indazole
SMILESCC1=Cc2c(cnn2-c2ccc(F)cc2)CC1(C)C=Cc1ccccc1
InChIInChI=1S/C23H21FN2/c1-17-14-22-19(16-25-26(22)21-10-8-20(24)9-11-21)15-23(17,2)13-12-18-6-4-3-5-7-18/h3-14,16H,15H2,1-2H3
InChIKeyBUPBFEAZQRKECM-UHFFFAOYSA-N
XLogP5.69
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.43
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-2-phenylethanol
CID 15605657
1-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-2-phenylethanone
CID 66919599
N-benzyl-2-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]ethanamine
CID 66919606
1-(4-fluorophenyl)-2-[(5S)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]ethanol
CID 66919502
2-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-(2-methoxyphenyl)ethanol
CID 66919428
(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
N-[[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-4,5,6,7-tetrahydrocyclopenta[f]indazol-5-yl]methyl]-N-(cyclopropylmethyl)-2-phenylethenesulfonamide
CID 123410176
5-[(2R)-2-ethoxy-2-phenylethyl]-1-(4-fluorophenyl)-5-methyl-6-phenyl-4H-indazole
CID 66919542
(5R)-1-(4-fluorophenyl)-5-(2-methoxy-2-naphthalen-1-ylethyl)-5,6-dimethyl-4H-indazole
CID 15604975
(4aS)-1-(4-fluorophenyl)-4a,7-dimethyl-4H-cyclopenta[f]indazol-5-one
CID 58713685
(5R)-5-[2-ethoxy-2-(3-methylphenyl)ethyl]-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazole
CID 15605047

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5,6-dimethyl-5-(2-phenylethenyl)-4H-indazole?
The IUPAC name of 1-(4-fluorophenyl)-5,6-dimethyl-5-(2-phenylethenyl)-4H-indazole (CID 66919534) is 1-(4-fluorophenyl)-5,6-dimethyl-5-(2-phenylethenyl)-4H-indazole.
What is the SMILES notation for 1-(4-fluorophenyl)-5,6-dimethyl-5-(2-phenylethenyl)-4H-indazole?
The canonical SMILES for 1-(4-fluorophenyl)-5,6-dimethyl-5-(2-phenylethenyl)-4H-indazole is CC1=Cc2c(cnn2-c2ccc(F)cc2)CC1(C)C=Cc1ccccc1.
What is the InChIKey of 1-(4-fluorophenyl)-5,6-dimethyl-5-(2-phenylethenyl)-4H-indazole?
The InChIKey is BUPBFEAZQRKECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2/c1-17-14-22-19(16-25-26(22)21-10-8-20(24)9-11-21)15-23(17,2)13-12-18-6-4-3-5-7-18/h3-14,16H,15H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-5,6-dimethyl-5-(2-phenylethenyl)-4H-indazole?
1-(4-fluorophenyl)-5,6-dimethyl-5-(2-phenylethenyl)-4H-indazole has a molecular weight of 344.43 g/mol, XLogP of 5.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5,6-dimethyl-5-(2-phenylethenyl)-4H-indazole is sourced from PubChem (CID 66919534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).