ethyl 1-[(6-fluoro-2-methyl-3-pyridinyl)methyl]pyrazole-4-carboxylate;1-[(6-fluoro-2-methyl-3-pyridinyl)methyl]-N-[(6R)-3-methyl-2-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide;1-[(6-fluoro-2-methyl-3-pyridinyl)methyl]pyrazole-4-carboxylic acid

C48H57F3N12O6Si — CID 158182357

IUPACethyl 1-[(6-fluoro-2-methyl-3-pyridinyl)methyl]pyrazole-4-carboxylate;1-[(6-fluoro-2-methyl-3-pyridinyl)methyl]-N-[(6R)-3-methyl-2-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide;1-[(6-fluoro-2-methyl-3-pyridinyl)methyl]pyrazole-4-carboxylic acid
SMILESCCOC(=O)c1cnn(Cc2ccc(F)nc2C)c1.Cc1nc(F)ccc1Cn1cc(C(=O)N[C@@H]2CCc3c2nn(COCC[Si](C)(C)C)c3C)cn1.Cc1nc(F)ccc1Cn1cc(C(=O)O)cn1
InChIInChI=1S/C24H33FN6O2Si.C13H14FN3O2.C11H10FN3O2/c1-16-18(6-9-22(25)27-16)13-30-14-19(12-26-30)24(32)28-21-8-7-20-17(2)31(29-23(20)21)15-33-10-11-34(3,4)5;1-3-19-13(18)11-6-15-17(8-11)7-10-4-5-12(14)16-9(10)2;1-7-8(2-3-10(12)14-7)5-15-6-9(4-13-15)11(16)17/h6,9,12,14,21H,7-8,10-11,13,15H2,1-5H3,(H,28,32);4-6,8H,3,7H2,1-2H3;2-4,6H,5H2,1H3,(H,16,17)/t21-;;/m1../s1
InChIKeyFYTCHVIRFUBWOQ-GHVWMZMZSA-N
MW983.14 g/mol
LogP7.43
Rot. Bonds16

About ethyl 1-[(6-fluoro-2-methyl-3-pyridinyl)methyl]pyrazole-4-carboxylate;1-[(6-fluoro-2-methyl-3-pyridinyl)methyl]-N-[(6R)-3-methyl-2-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide;1-[(6-fluoro-2-methyl-3-pyridinyl)methyl]pyrazole-4-carboxylic acid

ethyl 1-[(6-fluoro-2-methyl-3-pyridinyl)methyl]pyrazole-4-carboxylate;1-[(6-fluoro-2-methyl-3-pyridinyl)methyl]-N-[(6R)-3-methyl-2-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide;1-[(6-fluoro-2-methyl-3-pyridinyl)methyl]pyrazole-4-carboxylic acid (PubChem CID 158182357) has the molecular formula C48H57F3N12O6Si and a molecular weight of 983.14 g/mol. Its IUPAC name is ethyl 1-[(6-fluoro-2-methyl-3-pyridinyl)methyl]pyrazole-4-carboxylate;1-[(6-fluoro-2-methyl-3-pyridinyl)methyl]-N-[(6R)-3-methyl-2-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide;1-[(6-fluoro-2-methyl-3-pyridinyl)methyl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Nameethyl 1-[(6-fluoro-2-methyl-3-pyridinyl)methyl]pyrazole-4-carboxylate;1-[(6-fluoro-2-methyl-3-pyridinyl)methyl]-N-[(6R)-3-methyl-2-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide;1-[(6-fluoro-2-methyl-3-pyridinyl)methyl]pyrazole-4-carboxylic acid
PubChem CID158182357
Molecular FormulaC48H57F3N12O6Si
Molecular Weight983.14 g/mol
Exact Mass982.42
IUPAC Nameethyl 1-[(6-fluoro-2-methyl-3-pyridinyl)methyl]pyrazole-4-carboxylate;1-[(6-fluoro-2-methyl-3-pyridinyl)methyl]-N-[(6R)-3-methyl-2-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide;1-[(6-fluoro-2-methyl-3-pyridinyl)methyl]pyrazole-4-carboxylic acid
SMILESCCOC(=O)c1cnn(Cc2ccc(F)nc2C)c1.Cc1nc(F)ccc1Cn1cc(C(=O)N[C@@H]2CCc3c2nn(COCC[Si](C)(C)C)c3C)cn1.Cc1nc(F)ccc1Cn1cc(C(=O)O)cn1
InChIInChI=1S/C24H33FN6O2Si.C13H14FN3O2.C11H10FN3O2/c1-16-18(6-9-22(25)27-16)13-30-14-19(12-26-30)24(32)28-21-8-7-20-17(2)31(29-23(20)21)15-33-10-11-34(3,4)5;1-3-19-13(18)11-6-15-17(8-11)7-10-4-5-12(14)16-9(10)2;1-7-8(2-3-10(12)14-7)5-15-6-9(4-13-15)11(16)17/h6,9,12,14,21H,7-8,10-11,13,15H2,1-5H3,(H,28,32);4-6,8H,3,7H2,1-2H3;2-4,6H,5H2,1H3,(H,16,17)/t21-;;/m1../s1
InChIKeyFYTCHVIRFUBWOQ-GHVWMZMZSA-N
XLogP7.43
TPSA211.88 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500983.14
LogP ≤ 57.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze ethyl 1-[(6-fluoro-2-methyl-3-pyridinyl)methyl]pyrazole-4-carboxylate;1-[(6-fluoro-2-methyl-3-pyridinyl)methyl]-N-[(6R)-3-methyl-2-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide;1-[(6-fluoro-2-methyl-3-pyridinyl)methyl]pyrazole-4-carboxylic acid with MolForge

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Related Compounds

1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide
CID 153453467
1-[[6-[(1R,5S)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide
CID 153453441
1-[[6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide
CID 154964002
1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-(3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl)pyrazole-4-carboxamide
CID 146400816
1-[[6-[(1R,5S)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-methyl-3-pyridinyl]methyl]-N-(3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl)pyrazole-4-carboxamide
CID 153404058
1-[[6-(3-methoxy-3-methylazetidin-1-yl)-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide
CID 146371888
1-[[6-(6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide
CID 146371949
1-[[6-(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-(3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl)pyrazole-4-carboxamide
CID 153404082
ethyl 3-cyclopropyl-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carboxylate
CID 167334496
1-[[2-methyl-6-(2-methyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]-N-(3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl)pyrazole-4-carboxamide
CID 153404030
N-[(5R)-1-amino-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxamide
CID 135362185
ethyl 1-[(2-aminophenyl)methyl]pyrazole-4-carboxylate
CID 81498202

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(6-fluoro-2-methyl-3-pyridinyl)methyl]pyrazole-4-carboxylate;1-[(6-fluoro-2-methyl-3-pyridinyl)methyl]-N-[(6R)-3-methyl-2-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide;1-[(6-fluoro-2-methyl-3-pyridinyl)methyl]pyrazole-4-carboxylic acid?
The IUPAC name of ethyl 1-[(6-fluoro-2-methyl-3-pyridinyl)methyl]pyrazole-4-carboxylate;1-[(6-fluoro-2-methyl-3-pyridinyl)methyl]-N-[(6R)-3-methyl-2-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide;1-[(6-fluoro-2-methyl-3-pyridinyl)methyl]pyrazole-4-carboxylic acid (CID 158182357) is ethyl 1-[(6-fluoro-2-methyl-3-pyridinyl)methyl]pyrazole-4-carboxylate;1-[(6-fluoro-2-methyl-3-pyridinyl)methyl]-N-[(6R)-3-methyl-2-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide;1-[(6-fluoro-2-methyl-3-pyridinyl)methyl]pyrazole-4-carboxylic acid.
What is the SMILES notation for ethyl 1-[(6-fluoro-2-methyl-3-pyridinyl)methyl]pyrazole-4-carboxylate;1-[(6-fluoro-2-methyl-3-pyridinyl)methyl]-N-[(6R)-3-methyl-2-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide;1-[(6-fluoro-2-methyl-3-pyridinyl)methyl]pyrazole-4-carboxylic acid?
The canonical SMILES for ethyl 1-[(6-fluoro-2-methyl-3-pyridinyl)methyl]pyrazole-4-carboxylate;1-[(6-fluoro-2-methyl-3-pyridinyl)methyl]-N-[(6R)-3-methyl-2-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide;1-[(6-fluoro-2-methyl-3-pyridinyl)methyl]pyrazole-4-carboxylic acid is CCOC(=O)c1cnn(Cc2ccc(F)nc2C)c1.Cc1nc(F)ccc1Cn1cc(C(=O)N[C@@H]2CCc3c2nn(COCC[Si](C)(C)C)c3C)cn1.Cc1nc(F)ccc1Cn1cc(C(=O)O)cn1.
What is the InChIKey of ethyl 1-[(6-fluoro-2-methyl-3-pyridinyl)methyl]pyrazole-4-carboxylate;1-[(6-fluoro-2-methyl-3-pyridinyl)methyl]-N-[(6R)-3-methyl-2-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide;1-[(6-fluoro-2-methyl-3-pyridinyl)methyl]pyrazole-4-carboxylic acid?
The InChIKey is FYTCHVIRFUBWOQ-GHVWMZMZSA-N. The full InChI is InChI=1S/C24H33FN6O2Si.C13H14FN3O2.C11H10FN3O2/c1-16-18(6-9-22(25)27-16)13-30-14-19(12-26-30)24(32)28-21-8-7-20-17(2)31(29-23(20)21)15-33-10-11-34(3,4)5;1-3-19-13(18)11-6-15-17(8-11)7-10-4-5-12(14)16-9(10)2;1-7-8(2-3-10(12)14-7)5-15-6-9(4-13-15)11(16)17/h6,9,12,14,21H,7-8,10-11,13,15H2,1-5H3,(H,28,32);4-6,8H,3,7H2,1-2H3;2-4,6H,5H2,1H3,(H,16,17)/t21-;;/m1../s1.
What are the key properties of ethyl 1-[(6-fluoro-2-methyl-3-pyridinyl)methyl]pyrazole-4-carboxylate;1-[(6-fluoro-2-methyl-3-pyridinyl)methyl]-N-[(6R)-3-methyl-2-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide;1-[(6-fluoro-2-methyl-3-pyridinyl)methyl]pyrazole-4-carboxylic acid?
ethyl 1-[(6-fluoro-2-methyl-3-pyridinyl)methyl]pyrazole-4-carboxylate;1-[(6-fluoro-2-methyl-3-pyridinyl)methyl]-N-[(6R)-3-methyl-2-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide;1-[(6-fluoro-2-methyl-3-pyridinyl)methyl]pyrazole-4-carboxylic acid has a molecular weight of 983.14 g/mol, XLogP of 7.43, 16 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(6-fluoro-2-methyl-3-pyridinyl)methyl]pyrazole-4-carboxylate;1-[(6-fluoro-2-methyl-3-pyridinyl)methyl]-N-[(6R)-3-methyl-2-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide;1-[(6-fluoro-2-methyl-3-pyridinyl)methyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 158182357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).