3-[[4-[2-(5-fluoro-1H-indazol-3-yl)-2-oxoethyl]pyrazol-1-yl]methyl]benzonitrile

C20H14FN5O — CID 149319747

IUPAC3-[[4-[2-(5-fluoro-1H-indazol-3-yl)-2-oxoethyl]pyrazol-1-yl]methyl]benzonitrile
SMILESN#Cc1cccc(Cn2cc(CC(=O)c3n[nH]c4ccc(F)cc34)cn2)c1
InChIInChI=1S/C20H14FN5O/c21-16-4-5-18-17(8-16)20(25-24-18)19(27)7-15-10-23-26(12-15)11-14-3-1-2-13(6-14)9-22/h1-6,8,10,12H,7,11H2,(H,24,25)
InChIKeyYAFPIVUNBKPJOH-UHFFFAOYSA-N
MW359.36 g/mol
LogP3.24
Rot. Bonds5

About 3-[[4-[2-(5-fluoro-1H-indazol-3-yl)-2-oxoethyl]pyrazol-1-yl]methyl]benzonitrile

3-[[4-[2-(5-fluoro-1H-indazol-3-yl)-2-oxoethyl]pyrazol-1-yl]methyl]benzonitrile (PubChem CID 149319747) has the molecular formula C20H14FN5O and a molecular weight of 359.36 g/mol. Its IUPAC name is 3-[[4-[2-(5-fluoro-1H-indazol-3-yl)-2-oxoethyl]pyrazol-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name3-[[4-[2-(5-fluoro-1H-indazol-3-yl)-2-oxoethyl]pyrazol-1-yl]methyl]benzonitrile
PubChem CID149319747
Molecular FormulaC20H14FN5O
Molecular Weight359.36 g/mol
Exact Mass359.12
IUPAC Name3-[[4-[2-(5-fluoro-1H-indazol-3-yl)-2-oxoethyl]pyrazol-1-yl]methyl]benzonitrile
SMILESN#Cc1cccc(Cn2cc(CC(=O)c3n[nH]c4ccc(F)cc34)cn2)c1
InChIInChI=1S/C20H14FN5O/c21-16-4-5-18-17(8-16)20(25-24-18)19(27)7-15-10-23-26(12-15)11-14-3-1-2-13(6-14)9-22/h1-6,8,10,12H,7,11H2,(H,24,25)
InChIKeyYAFPIVUNBKPJOH-UHFFFAOYSA-N
XLogP3.24
TPSA87.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-Cyanobenzyl)-1h-Pyrazol-4-Yl]-6-(1h-Pyrazol-4-Yl)-1h-Indazole-3-Carboxamide
CID 71267243
N-[1-(3-Cyanobenzyl)-1h-Pyrazol-4-Yl]-2h-Indazole-3-Carboxamide
CID 3722581
1,4-Dihydro-1'-(1H-indazol-5-ylcarbonyl)-1-(1-methylethyl)spiro(5H-indazole-5,4'-piperidin)-7(6H)-one
CID 52934178
(1H-Indazol-3-yl)(2-{[(1H-indazol-5-yl)methyl]amino}phenyl)methanone
CID 44577740
(1H-Indazol-3-yl)(2-{[(1H-indazol-6-yl)methyl]amino}phenyl)methanone
CID 44577741
(2-((1H-indazol-6-yl)methylamino)phenyl)(1-methyl-1H-indazol-3-yl)methanone
CID 44577793
N-(1-(3-cyanobenzyl)-1H-pyrazol-4-yl)-6-(pyridin-4-yl)-1H-indazole-3-carboxamide
CID 71259506
N-(1-(3-((dimethylamino)methyl)benzyl)-1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
CID 71259557
N-[1-[(4-cyanophenyl)methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide
CID 71259563
N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-6-(1H-pyrazol-5-yl)-1H-indazole-3-carboxamide
CID 71259597
N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-6-pyridin-3-yl-1H-indazole-3-carboxamide
CID 71259773
N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-6-phenyl-1H-indazole-3-carboxamide
CID 71259783

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[2-(5-fluoro-1H-indazol-3-yl)-2-oxoethyl]pyrazol-1-yl]methyl]benzonitrile?
The IUPAC name of 3-[[4-[2-(5-fluoro-1H-indazol-3-yl)-2-oxoethyl]pyrazol-1-yl]methyl]benzonitrile (CID 149319747) is 3-[[4-[2-(5-fluoro-1H-indazol-3-yl)-2-oxoethyl]pyrazol-1-yl]methyl]benzonitrile.
What is the SMILES notation for 3-[[4-[2-(5-fluoro-1H-indazol-3-yl)-2-oxoethyl]pyrazol-1-yl]methyl]benzonitrile?
The canonical SMILES for 3-[[4-[2-(5-fluoro-1H-indazol-3-yl)-2-oxoethyl]pyrazol-1-yl]methyl]benzonitrile is N#Cc1cccc(Cn2cc(CC(=O)c3n[nH]c4ccc(F)cc34)cn2)c1.
What is the InChIKey of 3-[[4-[2-(5-fluoro-1H-indazol-3-yl)-2-oxoethyl]pyrazol-1-yl]methyl]benzonitrile?
The InChIKey is YAFPIVUNBKPJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN5O/c21-16-4-5-18-17(8-16)20(25-24-18)19(27)7-15-10-23-26(12-15)11-14-3-1-2-13(6-14)9-22/h1-6,8,10,12H,7,11H2,(H,24,25).
What are the key properties of 3-[[4-[2-(5-fluoro-1H-indazol-3-yl)-2-oxoethyl]pyrazol-1-yl]methyl]benzonitrile?
3-[[4-[2-(5-fluoro-1H-indazol-3-yl)-2-oxoethyl]pyrazol-1-yl]methyl]benzonitrile has a molecular weight of 359.36 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[2-(5-fluoro-1H-indazol-3-yl)-2-oxoethyl]pyrazol-1-yl]methyl]benzonitrile is sourced from PubChem (CID 149319747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).