lithium;alumane;ethyl 5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazole-4-carboxylate;[5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazol-4-yl]methanol;hydride

C44H38AlF2LiN6O3 — CID 159321838

IUPAClithium;alumane;ethyl 5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazole-4-carboxylate;[5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazol-4-yl]methanol;hydride
SMILESCCOC(=O)c1cnn(-c2ccc(-c3ccccc3)nc2)c1-c1ccccc1F.OCc1cnn(-c2ccc(-c3ccccc3)nc2)c1-c1ccccc1F.[AlH3].[H-].[Li+]
InChIInChI=1S/C23H18FN3O2.C21H16FN3O.Al.Li.4H/c1-2-29-23(28)19-15-26-27(22(19)18-10-6-7-11-20(18)24)17-12-13-21(25-14-17)16-8-4-3-5-9-16;22-19-9-5-4-8-18(19)21-16(14-26)12-24-25(21)17-10-11-20(23-13-17)15-6-2-1-3-7-15;;;;;;/h3-15H,2H2,1H3;1-13,26H,14H2;;;;;;/q;;;+1;;;;-1
InChIKeySYZPSOODGWMQGC-UHFFFAOYSA-N
MW770.75 g/mol
LogP5.08
Rot. Bonds9

About lithium;alumane;ethyl 5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazole-4-carboxylate;[5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazol-4-yl]methanol;hydride

lithium;alumane;ethyl 5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazole-4-carboxylate;[5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazol-4-yl]methanol;hydride (PubChem CID 159321838) has the molecular formula C44H38AlF2LiN6O3 and a molecular weight of 770.75 g/mol. Its IUPAC name is lithium;alumane;ethyl 5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazole-4-carboxylate;[5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazol-4-yl]methanol;hydride.

Molecular Properties

Compound Namelithium;alumane;ethyl 5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazole-4-carboxylate;[5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazol-4-yl]methanol;hydride
PubChem CID159321838
Molecular FormulaC44H38AlF2LiN6O3
Molecular Weight770.75 g/mol
Exact Mass770.29
IUPAC Namelithium;alumane;ethyl 5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazole-4-carboxylate;[5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazol-4-yl]methanol;hydride
SMILESCCOC(=O)c1cnn(-c2ccc(-c3ccccc3)nc2)c1-c1ccccc1F.OCc1cnn(-c2ccc(-c3ccccc3)nc2)c1-c1ccccc1F.[AlH3].[H-].[Li+]
InChIInChI=1S/C23H18FN3O2.C21H16FN3O.Al.Li.4H/c1-2-29-23(28)19-15-26-27(22(19)18-10-6-7-11-20(18)24)17-12-13-21(25-14-17)16-8-4-3-5-9-16;22-19-9-5-4-8-18(19)21-16(14-26)12-24-25(21)17-10-11-20(23-13-17)15-6-2-1-3-7-15;;;;;;/h3-15H,2H2,1H3;1-13,26H,14H2;;;;;;/q;;;+1;;;;-1
InChIKeySYZPSOODGWMQGC-UHFFFAOYSA-N
XLogP5.08
TPSA107.95 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500770.75
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze lithium;alumane;ethyl 5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazole-4-carboxylate;[5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazol-4-yl]methanol;hydride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1-[4-[4-(Pyridin-4-ylmethoxycarbonyl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]triazol-4-yl]benzoic acid
CID 132224383
Ethyl 5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazole-4-carboxylate
CID 11176689
Ethyl 5-[2-[[3-(trifluoromethyl)phenyl]methyl]indazol-4-yl]pyridine-3-carboxylate;5-[2-[[3-(trifluoromethyl)phenyl]methyl]indazol-4-yl]pyridine-3-carboxylic acid
CID 87301802
ethyl 1-[3-[2-fluoro-3-(hydroxymethyl)phenyl]phenyl]-5-[(1S,2S)-2-(1-methyltriazol-4-yl)cyclopropyl]pyrazole-4-carboxylate
CID 129025326
1-[1-(6-Fluoropyridin-3-yl)-3-[1-[(6-fluoropyridin-3-yl)methyl]-3-(trifluoromethyl)pyrazole-4-carbonyl]oxypropyl]-3-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 139452111
Ethyl 3-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxylate;[3-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]methanol
CID 159983847
methyl 4-[(1S)-1-aminoethyl]benzoate;methyl 4-[(1S)-1-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]ethyl]benzoate;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 167553153
methyl 4-[(1R)-1-aminoethyl]benzoate;methyl 4-[(1R)-1-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]ethyl]benzoate;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 167553154
Methyl 4-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylate;4-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 167618156
Ethyl 2-(4-aminophenyl)acetate;ethyl 2-[4-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]phenyl]acetate;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 167681433
Sodium;methyl 4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylate;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid;hydroxide
CID 167687257
Sodium;methyl 4-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylate;4-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid;hydroxide
CID 167711531

Frequently Asked Questions

What is the IUPAC name of lithium;alumane;ethyl 5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazole-4-carboxylate;[5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazol-4-yl]methanol;hydride?
The IUPAC name of lithium;alumane;ethyl 5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazole-4-carboxylate;[5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazol-4-yl]methanol;hydride (CID 159321838) is lithium;alumane;ethyl 5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazole-4-carboxylate;[5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazol-4-yl]methanol;hydride.
What is the SMILES notation for lithium;alumane;ethyl 5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazole-4-carboxylate;[5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazol-4-yl]methanol;hydride?
The canonical SMILES for lithium;alumane;ethyl 5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazole-4-carboxylate;[5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazol-4-yl]methanol;hydride is CCOC(=O)c1cnn(-c2ccc(-c3ccccc3)nc2)c1-c1ccccc1F.OCc1cnn(-c2ccc(-c3ccccc3)nc2)c1-c1ccccc1F.[AlH3].[H-].[Li+].
What is the InChIKey of lithium;alumane;ethyl 5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazole-4-carboxylate;[5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazol-4-yl]methanol;hydride?
The InChIKey is SYZPSOODGWMQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O2.C21H16FN3O.Al.Li.4H/c1-2-29-23(28)19-15-26-27(22(19)18-10-6-7-11-20(18)24)17-12-13-21(25-14-17)16-8-4-3-5-9-16;22-19-9-5-4-8-18(19)21-16(14-26)12-24-25(21)17-10-11-20(23-13-17)15-6-2-1-3-7-15;;;;;;/h3-15H,2H2,1H3;1-13,26H,14H2;;;;;;/q;;;+1;;;;-1.
What are the key properties of lithium;alumane;ethyl 5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazole-4-carboxylate;[5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazol-4-yl]methanol;hydride?
lithium;alumane;ethyl 5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazole-4-carboxylate;[5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazol-4-yl]methanol;hydride has a molecular weight of 770.75 g/mol, XLogP of 5.08, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;alumane;ethyl 5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazole-4-carboxylate;[5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazol-4-yl]methanol;hydride is sourced from PubChem (CID 159321838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).