1-[4-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]pyrazol-1-yl]ethanone

C20H14F2N4O — CID 141079198

IUPAC1-[4-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]pyrazol-1-yl]ethanone
SMILESCC(=O)n1cc(-c2cc3c(/C=C/c4ccc(F)cc4)n[nH]c3cc2F)cn1
InChIInChI=1S/C20H14F2N4O/c1-12(27)26-11-14(10-23-26)16-8-17-19(24-25-20(17)9-18(16)22)7-4-13-2-5-15(21)6-3-13/h2-11H,1H3,(H,24,25)/b7-4+
InChIKeyMTDBNWBFKFBXBP-QPJJXVBHSA-N
MW364.36 g/mol
LogP4.54
Rot. Bonds3

About 1-[4-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]pyrazol-1-yl]ethanone

1-[4-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]pyrazol-1-yl]ethanone (PubChem CID 141079198) has the molecular formula C20H14F2N4O and a molecular weight of 364.36 g/mol. Its IUPAC name is 1-[4-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]pyrazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]pyrazol-1-yl]ethanone
PubChem CID141079198
Molecular FormulaC20H14F2N4O
Molecular Weight364.36 g/mol
Exact Mass364.11
IUPAC Name1-[4-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]pyrazol-1-yl]ethanone
SMILESCC(=O)n1cc(-c2cc3c(/C=C/c4ccc(F)cc4)n[nH]c3cc2F)cn1
InChIInChI=1S/C20H14F2N4O/c1-12(27)26-11-14(10-23-26)16-8-17-19(24-25-20(17)9-18(16)22)7-4-13-2-5-15(21)6-3-13/h2-11H,1H3,(H,24,25)/b7-4+
InChIKeyMTDBNWBFKFBXBP-QPJJXVBHSA-N
XLogP4.54
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3,3-trifluoro-N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]propanamide
CID 59251119
1-[(1-ethyl-2,3-dihydro-1H-indol-5-yl)methyl]-3-1H-indazol-4-ylurea
CID 16749466
6-(3-fluorophenyl)-4-(1H-indazol-5-yl)pyrimidin-2(1H)-one
CID 24759475
4-(1H-indazol-5-yl)-6-(3-(trifluoromethyl)phenyl)pyrimidin-2(1H)-one
CID 24759580
6-(2-fluorophenyl)-4-(1H-indazol-5-yl)pyrimidin-2(1H)-one
CID 24759581
2,2,2-trifluoro-N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]acetamide
CID 24936446
5-(1-Benzyl-1h-1,2,3-triazol-4-yl)-1h-indazole
CID 25165861
5-(1-(3-methylbenzyl)-1H-1,2,3-triazol-4-yl)-1H-indazole
CID 25166053
5-(1-(2-fluorobenzyl)-1H-1,2,3-triazol-4-yl)-1H-indazole
CID 25166056
5-(1-(3-fluorobenzyl)-1H-1,2,3-triazol-4-yl)-1H-indazole
CID 25166057
5-(1-(4-fluorobenzyl)-1H-1,2,3-triazol-4-yl)-1H-indazole
CID 25166058
N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]-2,2-dimethylpropanamide
CID 59251075

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]pyrazol-1-yl]ethanone?
The IUPAC name of 1-[4-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]pyrazol-1-yl]ethanone (CID 141079198) is 1-[4-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]pyrazol-1-yl]ethanone.
What is the SMILES notation for 1-[4-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]pyrazol-1-yl]ethanone?
The canonical SMILES for 1-[4-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]pyrazol-1-yl]ethanone is CC(=O)n1cc(-c2cc3c(/C=C/c4ccc(F)cc4)n[nH]c3cc2F)cn1.
What is the InChIKey of 1-[4-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]pyrazol-1-yl]ethanone?
The InChIKey is MTDBNWBFKFBXBP-QPJJXVBHSA-N. The full InChI is InChI=1S/C20H14F2N4O/c1-12(27)26-11-14(10-23-26)16-8-17-19(24-25-20(17)9-18(16)22)7-4-13-2-5-15(21)6-3-13/h2-11H,1H3,(H,24,25)/b7-4+.
What are the key properties of 1-[4-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]pyrazol-1-yl]ethanone?
1-[4-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]pyrazol-1-yl]ethanone has a molecular weight of 364.36 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]pyrazol-1-yl]ethanone is sourced from PubChem (CID 141079198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).