3-[[4-[2-oxo-2-(6-phenyl-1H-indazol-3-yl)ethyl]pyrazol-1-yl]methyl]benzonitrile

C26H19N5O — CID 152937093

IUPAC3-[[4-[2-oxo-2-(6-phenyl-1H-indazol-3-yl)ethyl]pyrazol-1-yl]methyl]benzonitrile
SMILESN#Cc1cccc(Cn2cc(CC(=O)c3n[nH]c4cc(-c5ccccc5)ccc34)cn2)c1
InChIInChI=1S/C26H19N5O/c27-14-18-5-4-6-19(11-18)16-31-17-20(15-28-31)12-25(32)26-23-10-9-22(13-24(23)29-30-26)21-7-2-1-3-8-21/h1-11,13,15,17H,12,16H2,(H,29,30)
InChIKeyUMBNTLLDDPARRN-UHFFFAOYSA-N
MW417.47 g/mol
LogP4.77
Rot. Bonds6

About 3-[[4-[2-oxo-2-(6-phenyl-1H-indazol-3-yl)ethyl]pyrazol-1-yl]methyl]benzonitrile

3-[[4-[2-oxo-2-(6-phenyl-1H-indazol-3-yl)ethyl]pyrazol-1-yl]methyl]benzonitrile (PubChem CID 152937093) has the molecular formula C26H19N5O and a molecular weight of 417.47 g/mol. Its IUPAC name is 3-[[4-[2-oxo-2-(6-phenyl-1H-indazol-3-yl)ethyl]pyrazol-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name3-[[4-[2-oxo-2-(6-phenyl-1H-indazol-3-yl)ethyl]pyrazol-1-yl]methyl]benzonitrile
PubChem CID152937093
Molecular FormulaC26H19N5O
Molecular Weight417.47 g/mol
Exact Mass417.16
IUPAC Name3-[[4-[2-oxo-2-(6-phenyl-1H-indazol-3-yl)ethyl]pyrazol-1-yl]methyl]benzonitrile
SMILESN#Cc1cccc(Cn2cc(CC(=O)c3n[nH]c4cc(-c5ccccc5)ccc34)cn2)c1
InChIInChI=1S/C26H19N5O/c27-14-18-5-4-6-19(11-18)16-31-17-20(15-28-31)12-25(32)26-23-10-9-22(13-24(23)29-30-26)21-7-2-1-3-8-21/h1-11,13,15,17H,12,16H2,(H,29,30)
InChIKeyUMBNTLLDDPARRN-UHFFFAOYSA-N
XLogP4.77
TPSA87.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[4-[2-oxo-2-(6-pyridin-3-yl-1H-indazol-3-yl)ethyl]pyrazol-1-yl]methyl]benzonitrile
CID 158185027
3-[[4-[2-[6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-oxoethyl]pyrazol-1-yl]methyl]benzonitrile
CID 162127179
3-[[4-[2-[6-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-2-oxoethyl]pyrazol-1-yl]methyl]benzonitrile
CID 159252837
6-(6-amino-3-pyridinyl)-N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide
CID 71259500
2-[1-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]pyrazol-4-yl]-1-[6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]ethanone
CID 157101195
2-[1-[[3-(2-cyclobutylethyl)phenyl]methyl]pyrazol-4-yl]-1-(1H-indazol-3-yl)ethanone
CID 158480844
2-[1-(2-ethylbutyl)pyrazol-4-yl]-1-[6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]ethanone
CID 159337628
3-[(4-ethylpyrazol-1-yl)methyl]benzonitrile
CID 130219655
N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-5-fluoro-1H-indazole-3-carboxamide
CID 71259814
6-phenyl-1H-indazole-3-carboxylic acid
CID 74892779
N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 156596108
N-[1-[(3-cyano-5-methylphenyl)methyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
CID 123936431

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[2-oxo-2-(6-phenyl-1H-indazol-3-yl)ethyl]pyrazol-1-yl]methyl]benzonitrile?
The IUPAC name of 3-[[4-[2-oxo-2-(6-phenyl-1H-indazol-3-yl)ethyl]pyrazol-1-yl]methyl]benzonitrile (CID 152937093) is 3-[[4-[2-oxo-2-(6-phenyl-1H-indazol-3-yl)ethyl]pyrazol-1-yl]methyl]benzonitrile.
What is the SMILES notation for 3-[[4-[2-oxo-2-(6-phenyl-1H-indazol-3-yl)ethyl]pyrazol-1-yl]methyl]benzonitrile?
The canonical SMILES for 3-[[4-[2-oxo-2-(6-phenyl-1H-indazol-3-yl)ethyl]pyrazol-1-yl]methyl]benzonitrile is N#Cc1cccc(Cn2cc(CC(=O)c3n[nH]c4cc(-c5ccccc5)ccc34)cn2)c1.
What is the InChIKey of 3-[[4-[2-oxo-2-(6-phenyl-1H-indazol-3-yl)ethyl]pyrazol-1-yl]methyl]benzonitrile?
The InChIKey is UMBNTLLDDPARRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N5O/c27-14-18-5-4-6-19(11-18)16-31-17-20(15-28-31)12-25(32)26-23-10-9-22(13-24(23)29-30-26)21-7-2-1-3-8-21/h1-11,13,15,17H,12,16H2,(H,29,30).
What are the key properties of 3-[[4-[2-oxo-2-(6-phenyl-1H-indazol-3-yl)ethyl]pyrazol-1-yl]methyl]benzonitrile?
3-[[4-[2-oxo-2-(6-phenyl-1H-indazol-3-yl)ethyl]pyrazol-1-yl]methyl]benzonitrile has a molecular weight of 417.47 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[2-oxo-2-(6-phenyl-1H-indazol-3-yl)ethyl]pyrazol-1-yl]methyl]benzonitrile is sourced from PubChem (CID 152937093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).