tert-butyl 4-(4-amino-3-methylpyrazol-1-yl)azepane-1-carboxylate;tert-butyl 4-(4-amino-5-methylpyrazol-1-yl)azepane-1-carboxylate;tert-butyl 4-hydroxyazepane-1-carboxylate;tert-butyl 4-[4-[(4-methoxycarbonyl-3-pyridinyl)methyl]-3-methylpyrazol-1-yl]azepane-1-carboxylate;tert-butyl 4-[4-[(4-methoxycarbonyl-3-pyridinyl)methyl]-5-methylpyrazol-1-yl]azepane-1-carboxylate;tert-butyl 4-(3-methyl-4-nitropyrazol-1-yl)azepane-1-carboxylate;tert-butyl 4-(5-methyl-4-nitropyrazol-1-yl)azepane-1-carboxylate;carbanide;methyl 3-bromopyridine-4-carboxylate;5-methyl-4-nitro-1H-pyrazole;palladium

C129H199BrN29O27Pd- — CID 159986737

IUPACtert-butyl 4-(4-amino-3-methylpyrazol-1-yl)azepane-1-carboxylate;tert-butyl 4-(4-amino-5-methylpyrazol-1-yl)azepane-1-carboxylate;tert-butyl 4-hydroxyazepane-1-carboxylate;tert-butyl 4-[4-[(4-methoxycarbonyl-3-pyridinyl)methyl]-3-methylpyrazol-1-yl]azepane-1-carboxylate;tert-butyl 4-[4-[(4-methoxycarbonyl-3-pyridinyl)methyl]-5-methylpyrazol-1-yl]azepane-1-carboxylate;tert-butyl 4-(3-methyl-4-nitropyrazol-1-yl)azepane-1-carboxylate;tert-butyl 4-(5-methyl-4-nitropyrazol-1-yl)azepane-1-carboxylate;carbanide;methyl 3-bromopyridine-4-carboxylate;5-methyl-4-nitro-1H-pyrazole;palladium
SMILESCC(C)(C)OC(=O)N1CCCC(O)CC1.COC(=O)c1ccncc1Br.COC(=O)c1ccncc1Cc1cn(C2CCCN(C(=O)OC(C)(C)C)CC2)nc1C.COC(=O)c1ccncc1Cc1cnn(C2CCCN(C(=O)OC(C)(C)C)CC2)c1C.Cc1[nH]ncc1[N+](=O)[O-].Cc1c(N)cnn1C1CCCN(C(=O)OC(C)(C)C)CC1.Cc1c([N+](=O)[O-])cnn1C1CCCN(C(=O)OC(C)(C)C)CC1.Cc1nn(C2CCCN(C(=O)OC(C)(C)C)CC2)cc1N.Cc1nn(C2CCCN(C(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-].[CH3-].[Pd]
InChIInChI=1S/2C23H32N4O4.2C15H24N4O4.2C15H26N4O2.C11H21NO3.C7H6BrNO2.C4H5N3O2.CH3.Pd/c1-16-17(13-18-14-24-10-8-20(18)21(28)30-5)15-25-27(16)19-7-6-11-26(12-9-19)22(29)31-23(2,3)4;1-16-18(13-17-14-24-10-8-20(17)21(28)30-5)15-27(25-16)19-7-6-11-26(12-9-19)22(29)31-23(2,3)4;1-11-13(19(21)22)10-18(16-11)12-6-5-8-17(9-7-12)14(20)23-15(2,3)4;1-11-13(19(21)22)10-16-18(11)12-6-5-8-17(9-7-12)14(20)23-15(2,3)4;1-11-13(16)10-19(17-11)12-6-5-8-18(9-7-12)14(20)21-15(2,3)4;1-11-13(16)10-17-19(11)12-6-5-8-18(9-7-12)14(20)21-15(2,3)4;1-11(2,3)15-10(14)12-7-4-5-9(13)6-8-12;1-11-7(10)5-2-3-9-4-6(5)8;1-3-4(7(8)9)2-5-6-3;;/h2*8,10,14-15,19H,6-7,9,11-13H2,1-5H3;2*10,12H,5-9H2,1-4H3;2*10,12H,5-9,16H2,1-4H3;9,13H,4-8H2,1-3H3;2-4H,1H3;2H,1H3,(H,5,6);1H3;/q;;;;;;;;;-1;
InChIKeyILVIJWYBOZIDPU-UHFFFAOYSA-N
MW2774.51 g/mol
LogP23.92
Rot. Bonds16

About tert-butyl 4-(4-amino-3-methylpyrazol-1-yl)azepane-1-carboxylate;tert-butyl 4-(4-amino-5-methylpyrazol-1-yl)azepane-1-carboxylate;tert-butyl 4-hydroxyazepane-1-carboxylate;tert-butyl 4-[4-[(4-methoxycarbonyl-3-pyridinyl)methyl]-3-methylpyrazol-1-yl]azepane-1-carboxylate;tert-butyl 4-[4-[(4-methoxycarbonyl-3-pyridinyl)methyl]-5-methylpyrazol-1-yl]azepane-1-carboxylate;tert-butyl 4-(3-methyl-4-nitropyrazol-1-yl)azepane-1-carboxylate;tert-butyl 4-(5-methyl-4-nitropyrazol-1-yl)azepane-1-carboxylate;carbanide;methyl 3-bromopyridine-4-carboxylate;5-methyl-4-nitro-1H-pyrazole;palladium

tert-butyl 4-(4-amino-3-methylpyrazol-1-yl)azepane-1-carboxylate;tert-butyl 4-(4-amino-5-methylpyrazol-1-yl)azepane-1-carboxylate;tert-butyl 4-hydroxyazepane-1-carboxylate;tert-butyl 4-[4-[(4-methoxycarbonyl-3-pyridinyl)methyl]-3-methylpyrazol-1-yl]azepane-1-carboxylate;tert-butyl 4-[4-[(4-methoxycarbonyl-3-pyridinyl)methyl]-5-methylpyrazol-1-yl]azepane-1-carboxylate;tert-butyl 4-(3-methyl-4-nitropyrazol-1-yl)azepane-1-carboxylate;tert-butyl 4-(5-methyl-4-nitropyrazol-1-yl)azepane-1-carboxylate;carbanide;methyl 3-bromopyridine-4-carboxylate;5-methyl-4-nitro-1H-pyrazole;palladium (PubChem CID 159986737) has the molecular formula C129H199BrN29O27Pd- and a molecular weight of 2774.51 g/mol. Its IUPAC name is tert-butyl 4-(4-amino-3-methylpyrazol-1-yl)azepane-1-carboxylate;tert-butyl 4-(4-amino-5-methylpyrazol-1-yl)azepane-1-carboxylate;tert-butyl 4-hydroxyazepane-1-carboxylate;tert-butyl 4-[4-[(4-methoxycarbonyl-3-pyridinyl)methyl]-3-methylpyrazol-1-yl]azepane-1-carboxylate;tert-butyl 4-[4-[(4-methoxycarbonyl-3-pyridinyl)methyl]-5-methylpyrazol-1-yl]azepane-1-carboxylate;tert-butyl 4-(3-methyl-4-nitropyrazol-1-yl)azepane-1-carboxylate;tert-butyl 4-(5-methyl-4-nitropyrazol-1-yl)azepane-1-carboxylate;carbanide;methyl 3-bromopyridine-4-carboxylate;5-methyl-4-nitro-1H-pyrazole;palladium.

Molecular Properties

Compound Nametert-butyl 4-(4-amino-3-methylpyrazol-1-yl)azepane-1-carboxylate;tert-butyl 4-(4-amino-5-methylpyrazol-1-yl)azepane-1-carboxylate;tert-butyl 4-hydroxyazepane-1-carboxylate;tert-butyl 4-[4-[(4-methoxycarbonyl-3-pyridinyl)methyl]-3-methylpyrazol-1-yl]azepane-1-carboxylate;tert-butyl 4-[4-[(4-methoxycarbonyl-3-pyridinyl)methyl]-5-methylpyrazol-1-yl]azepane-1-carboxylate;tert-butyl 4-(3-methyl-4-nitropyrazol-1-yl)azepane-1-carboxylate;tert-butyl 4-(5-methyl-4-nitropyrazol-1-yl)azepane-1-carboxylate;carbanide;methyl 3-bromopyridine-4-carboxylate;5-methyl-4-nitro-1H-pyrazole;palladium
PubChem CID159986737
Molecular FormulaC129H199BrN29O27Pd-
Molecular Weight2774.51 g/mol
Exact Mass2771.33
IUPAC Nametert-butyl 4-(4-amino-3-methylpyrazol-1-yl)azepane-1-carboxylate;tert-butyl 4-(4-amino-5-methylpyrazol-1-yl)azepane-1-carboxylate;tert-butyl 4-hydroxyazepane-1-carboxylate;tert-butyl 4-[4-[(4-methoxycarbonyl-3-pyridinyl)methyl]-3-methylpyrazol-1-yl]azepane-1-carboxylate;tert-butyl 4-[4-[(4-methoxycarbonyl-3-pyridinyl)methyl]-5-methylpyrazol-1-yl]azepane-1-carboxylate;tert-butyl 4-(3-methyl-4-nitropyrazol-1-yl)azepane-1-carboxylate;tert-butyl 4-(5-methyl-4-nitropyrazol-1-yl)azepane-1-carboxylate;carbanide;methyl 3-bromopyridine-4-carboxylate;5-methyl-4-nitro-1H-pyrazole;palladium
SMILESCC(C)(C)OC(=O)N1CCCC(O)CC1.COC(=O)c1ccncc1Br.COC(=O)c1ccncc1Cc1cn(C2CCCN(C(=O)OC(C)(C)C)CC2)nc1C.COC(=O)c1ccncc1Cc1cnn(C2CCCN(C(=O)OC(C)(C)C)CC2)c1C.Cc1[nH]ncc1[N+](=O)[O-].Cc1c(N)cnn1C1CCCN(C(=O)OC(C)(C)C)CC1.Cc1c([N+](=O)[O-])cnn1C1CCCN(C(=O)OC(C)(C)C)CC1.Cc1nn(C2CCCN(C(=O)OC(C)(C)C)CC2)cc1N.Cc1nn(C2CCCN(C(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-].[CH3-].[Pd]
InChIInChI=1S/2C23H32N4O4.2C15H24N4O4.2C15H26N4O2.C11H21NO3.C7H6BrNO2.C4H5N3O2.CH3.Pd/c1-16-17(13-18-14-24-10-8-20(18)21(28)30-5)15-25-27(16)19-7-6-11-26(12-9-19)22(29)31-23(2,3)4;1-16-18(13-17-14-24-10-8-20(17)21(28)30-5)15-27(25-16)19-7-6-11-26(12-9-19)22(29)31-23(2,3)4;1-11-13(19(21)22)10-18(16-11)12-6-5-8-17(9-7-12)14(20)23-15(2,3)4;1-11-13(19(21)22)10-16-18(11)12-6-5-8-17(9-7-12)14(20)23-15(2,3)4;1-11-13(16)10-19(17-11)12-6-5-8-18(9-7-12)14(20)21-15(2,3)4;1-11-13(16)10-17-19(11)12-6-5-8-18(9-7-12)14(20)21-15(2,3)4;1-11(2,3)15-10(14)12-7-4-5-9(13)6-8-12;1-11-7(10)5-2-3-9-4-6(5)8;1-3-4(7(8)9)2-5-6-3;;/h2*8,10,14-15,19H,6-7,9,11-13H2,1-5H3;2*10,12H,5-9H2,1-4H3;2*10,12H,5-9,16H2,1-4H3;9,13H,4-8H2,1-3H3;2-4H,1H3;2H,1H3,(H,5,6);1H3;/q;;;;;;;;;-1;
InChIKeyILVIJWYBOZIDPU-UHFFFAOYSA-N
XLogP23.92
TPSA661.64 Ų
H-Bond Donors4
H-Bond Acceptors45
Rotatable Bonds16
Heavy Atoms187
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002774.51
LogP ≤ 523.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze tert-butyl 4-(4-amino-3-methylpyrazol-1-yl)azepane-1-carboxylate;tert-butyl 4-(4-amino-5-methylpyrazol-1-yl)azepane-1-carboxylate;tert-butyl 4-hydroxyazepane-1-carboxylate;tert-butyl 4-[4-[(4-methoxycarbonyl-3-pyridinyl)methyl]-3-methylpyrazol-1-yl]azepane-1-carboxylate;tert-butyl 4-[4-[(4-methoxycarbonyl-3-pyridinyl)methyl]-5-methylpyrazol-1-yl]azepane-1-carboxylate;tert-butyl 4-(3-methyl-4-nitropyrazol-1-yl)azepane-1-carboxylate;tert-butyl 4-(5-methyl-4-nitropyrazol-1-yl)azepane-1-carboxylate;carbanide;methyl 3-bromopyridine-4-carboxylate;5-methyl-4-nitro-1H-pyrazole;palladium with MolForge

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Launch Full Analysis

Related Compounds

2-(dimethylamino)ethanol;1-[2-(dimethylamino)ethyl]-3-methylpyrazol-4-amine;1-[2-(dimethylamino)ethyl]-5-methylpyrazol-4-amine;N,N-dimethyl-2-(3-methyl-4-nitropyrazol-1-yl)ethanamine;N,N-dimethyl-2-(5-methyl-4-nitropyrazol-1-yl)ethanamine;methyl 3-[[2-[2-(dimethylamino)ethyl]-3-methyl-1H-pyrazol-2-ium-4-yl]methyl]pyridine-4-carboxylate;methyl 3-[[2-[2-(dimethylamino)ethyl]-5-methyl-1H-pyrazol-2-ium-4-yl]methyl]pyridine-4-carboxylate;methyl 3-iodopyridine-4-carboxylate;5-methyl-4-nitro-1H-pyrazole
CID 157306377
tert-butyl 4-(4-amino-3-methylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-(4-amino-5-methylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-(3-methyl-4-nitropyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-(5-methyl-4-nitropyrazol-1-yl)piperidine-1-carboxylate;cyclohexanone;methane;methyl 3-bromopyridine-4-carboxylate;methyl 3-[[3-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]methyl]pyridine-4-carboxylate;methyl 3-[[5-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]methyl]pyridine-4-carboxylate;5-methyl-4-nitro-1H-pyrazole;oxolane
CID 157447572
methyl 3-bromopyridine-4-carboxylate;1-methyl-4-(3-methyl-4-nitropyrazol-1-yl)piperidine;1-methyl-4-(5-methyl-4-nitropyrazol-1-yl)piperidine;3-methyl-1-(1-methylpiperidin-4-yl)pyrazol-4-amine;5-methyl-1-(1-methylpiperidin-4-yl)pyrazol-4-amine;3-[[3-methyl-2-(1-methylpiperidin-4-yl)-1H-pyrazol-2-ium-4-yl]methyl]pyridine-4-carboxylic acid;1-[3-[[5-methyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-4-pyridinyl]ethanone;3-[[3-methyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]methyl]pyridine-4-carboxylic acid;1-[3-[[3-methyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-4-pyridinyl]ethanone;4-(3-methyl-4-nitropyrazol-1-yl)piperidine;4-(5-methyl-4-nitropyrazol-1-yl)piperidine
CID 157940733
carbanide;methane;methyl 3-bromopyridine-4-carboxylate;methyl 3-[[3-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]amino]pyridine-4-carboxylate;methyl 3-[[5-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]amino]pyridine-4-carboxylate;3-methyl-1-(1-methylpyrrolidin-3-yl)-4-nitropyrazole;5-methyl-1-(1-methylpyrrolidin-3-yl)-4-nitropyrazole;3-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-4-amine;5-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-4-amine;5-methyl-4-nitro-1H-pyrazole;1-methylpyrrolidin-3-ol;palladium
CID 158658171
4-aminocyclohexan-1-ol;3-[[2-(4-aminocyclohexyl)-3-methyl-1H-pyrazol-2-ium-4-yl]methyl]pyridine-4-carboxylic acid;3-[[1-(4-aminocyclohexyl)-3-methylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid;tert-butyl N-[4-[4-[(4-acetyl-3-pyridinyl)amino]-5-methylpyrazol-1-yl]cyclohexyl]carbamate;tert-butyl N-[4-[4-[(4-acetyl-3-pyridinyl)methyl]-3-methylpyrazol-1-yl]cyclohexyl]carbamate;tert-butyl N-[4-(4-amino-3-methylpyrazol-1-yl)cyclohexyl]carbamate;tert-butyl N-[4-(4-amino-5-methylpyrazol-1-yl)cyclohexyl]carbamate;bis(tert-butyl N-(4-hydroxycyclohexyl)carbamate);tert-butyl N-[4-(3-methyl-4-nitropyrazol-1-yl)cyclohexyl]carbamate;tert-butyl N-[4-(5-methyl-4-nitropyrazol-1-yl)cyclohexyl]carbamate;methyl 3-bromopyridine-4-carboxylate;5-methyl-4-nitro-1H-pyrazole
CID 160055398
methane;methyl 3-bromopyridine-4-carboxylate;3-methyl-1-(4-methylphenyl)-4-nitropyrazole;3-methyl-1-(4-methylphenyl)pyrazol-4-amine;3-[[3-methyl-1-(4-methylphenyl)pyrazol-4-yl]methyl]pyridine-4-carboxylic acid;1-[3-[[3-methyl-1-(4-methylphenyl)pyrazol-4-yl]methyl]-4-pyridinyl]ethanone;5-methyl-4-nitro-1H-pyrazole;(4-methylphenyl)boronic acid
CID 160157208
benzyl (3S,4S)-3-(4-amino-3-methylpyrazol-1-yl)-4-methylpyrrolidine-1-carboxylate;benzyl (3S,4R)-3-hydroxy-4-methylpyrrolidine-1-carboxylate;bis(benzyl (3R,4S)-3-hydroxy-4-methylpyrrolidine-1-carboxylate);benzyl (3S,4S)-3-methyl-4-(3-methyl-4-nitropyrazol-1-yl)pyrrolidine-1-carboxylate;benzyl 6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate;bromocopper(1+);carbanide;methyl 3-iodopyridine-4-carboxylate;methyl 3-[[3-methyl-1-[(3S,4S)-4-methyl-1-phenylmethoxycarbonylpyrrolidin-3-yl]pyrazol-4-yl]methyl]pyridine-4-carboxylate;5-methyl-4-nitro-1H-pyrazole
CID 161862620

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-amino-3-methylpyrazol-1-yl)azepane-1-carboxylate;tert-butyl 4-(4-amino-5-methylpyrazol-1-yl)azepane-1-carboxylate;tert-butyl 4-hydroxyazepane-1-carboxylate;tert-butyl 4-[4-[(4-methoxycarbonyl-3-pyridinyl)methyl]-3-methylpyrazol-1-yl]azepane-1-carboxylate;tert-butyl 4-[4-[(4-methoxycarbonyl-3-pyridinyl)methyl]-5-methylpyrazol-1-yl]azepane-1-carboxylate;tert-butyl 4-(3-methyl-4-nitropyrazol-1-yl)azepane-1-carboxylate;tert-butyl 4-(5-methyl-4-nitropyrazol-1-yl)azepane-1-carboxylate;carbanide;methyl 3-bromopyridine-4-carboxylate;5-methyl-4-nitro-1H-pyrazole;palladium?
The IUPAC name of tert-butyl 4-(4-amino-3-methylpyrazol-1-yl)azepane-1-carboxylate;tert-butyl 4-(4-amino-5-methylpyrazol-1-yl)azepane-1-carboxylate;tert-butyl 4-hydroxyazepane-1-carboxylate;tert-butyl 4-[4-[(4-methoxycarbonyl-3-pyridinyl)methyl]-3-methylpyrazol-1-yl]azepane-1-carboxylate;tert-butyl 4-[4-[(4-methoxycarbonyl-3-pyridinyl)methyl]-5-methylpyrazol-1-yl]azepane-1-carboxylate;tert-butyl 4-(3-methyl-4-nitropyrazol-1-yl)azepane-1-carboxylate;tert-butyl 4-(5-methyl-4-nitropyrazol-1-yl)azepane-1-carboxylate;carbanide;methyl 3-bromopyridine-4-carboxylate;5-methyl-4-nitro-1H-pyrazole;palladium (CID 159986737) is tert-butyl 4-(4-amino-3-methylpyrazol-1-yl)azepane-1-carboxylate;tert-butyl 4-(4-amino-5-methylpyrazol-1-yl)azepane-1-carboxylate;tert-butyl 4-hydroxyazepane-1-carboxylate;tert-butyl 4-[4-[(4-methoxycarbonyl-3-pyridinyl)methyl]-3-methylpyrazol-1-yl]azepane-1-carboxylate;tert-butyl 4-[4-[(4-methoxycarbonyl-3-pyridinyl)methyl]-5-methylpyrazol-1-yl]azepane-1-carboxylate;tert-butyl 4-(3-methyl-4-nitropyrazol-1-yl)azepane-1-carboxylate;tert-butyl 4-(5-methyl-4-nitropyrazol-1-yl)azepane-1-carboxylate;carbanide;methyl 3-bromopyridine-4-carboxylate;5-methyl-4-nitro-1H-pyrazole;palladium.
What is the SMILES notation for tert-butyl 4-(4-amino-3-methylpyrazol-1-yl)azepane-1-carboxylate;tert-butyl 4-(4-amino-5-methylpyrazol-1-yl)azepane-1-carboxylate;tert-butyl 4-hydroxyazepane-1-carboxylate;tert-butyl 4-[4-[(4-methoxycarbonyl-3-pyridinyl)methyl]-3-methylpyrazol-1-yl]azepane-1-carboxylate;tert-butyl 4-[4-[(4-methoxycarbonyl-3-pyridinyl)methyl]-5-methylpyrazol-1-yl]azepane-1-carboxylate;tert-butyl 4-(3-methyl-4-nitropyrazol-1-yl)azepane-1-carboxylate;tert-butyl 4-(5-methyl-4-nitropyrazol-1-yl)azepane-1-carboxylate;carbanide;methyl 3-bromopyridine-4-carboxylate;5-methyl-4-nitro-1H-pyrazole;palladium?
The canonical SMILES for tert-butyl 4-(4-amino-3-methylpyrazol-1-yl)azepane-1-carboxylate;tert-butyl 4-(4-amino-5-methylpyrazol-1-yl)azepane-1-carboxylate;tert-butyl 4-hydroxyazepane-1-carboxylate;tert-butyl 4-[4-[(4-methoxycarbonyl-3-pyridinyl)methyl]-3-methylpyrazol-1-yl]azepane-1-carboxylate;tert-butyl 4-[4-[(4-methoxycarbonyl-3-pyridinyl)methyl]-5-methylpyrazol-1-yl]azepane-1-carboxylate;tert-butyl 4-(3-methyl-4-nitropyrazol-1-yl)azepane-1-carboxylate;tert-butyl 4-(5-methyl-4-nitropyrazol-1-yl)azepane-1-carboxylate;carbanide;methyl 3-bromopyridine-4-carboxylate;5-methyl-4-nitro-1H-pyrazole;palladium is CC(C)(C)OC(=O)N1CCCC(O)CC1.COC(=O)c1ccncc1Br.COC(=O)c1ccncc1Cc1cn(C2CCCN(C(=O)OC(C)(C)C)CC2)nc1C.COC(=O)c1ccncc1Cc1cnn(C2CCCN(C(=O)OC(C)(C)C)CC2)c1C.Cc1[nH]ncc1[N+](=O)[O-].Cc1c(N)cnn1C1CCCN(C(=O)OC(C)(C)C)CC1.Cc1c([N+](=O)[O-])cnn1C1CCCN(C(=O)OC(C)(C)C)CC1.Cc1nn(C2CCCN(C(=O)OC(C)(C)C)CC2)cc1N.Cc1nn(C2CCCN(C(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-].[CH3-].[Pd].
What is the InChIKey of tert-butyl 4-(4-amino-3-methylpyrazol-1-yl)azepane-1-carboxylate;tert-butyl 4-(4-amino-5-methylpyrazol-1-yl)azepane-1-carboxylate;tert-butyl 4-hydroxyazepane-1-carboxylate;tert-butyl 4-[4-[(4-methoxycarbonyl-3-pyridinyl)methyl]-3-methylpyrazol-1-yl]azepane-1-carboxylate;tert-butyl 4-[4-[(4-methoxycarbonyl-3-pyridinyl)methyl]-5-methylpyrazol-1-yl]azepane-1-carboxylate;tert-butyl 4-(3-methyl-4-nitropyrazol-1-yl)azepane-1-carboxylate;tert-butyl 4-(5-methyl-4-nitropyrazol-1-yl)azepane-1-carboxylate;carbanide;methyl 3-bromopyridine-4-carboxylate;5-methyl-4-nitro-1H-pyrazole;palladium?
The InChIKey is ILVIJWYBOZIDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H32N4O4.2C15H24N4O4.2C15H26N4O2.C11H21NO3.C7H6BrNO2.C4H5N3O2.CH3.Pd/c1-16-17(13-18-14-24-10-8-20(18)21(28)30-5)15-25-27(16)19-7-6-11-26(12-9-19)22(29)31-23(2,3)4;1-16-18(13-17-14-24-10-8-20(17)21(28)30-5)15-27(25-16)19-7-6-11-26(12-9-19)22(29)31-23(2,3)4;1-11-13(19(21)22)10-18(16-11)12-6-5-8-17(9-7-12)14(20)23-15(2,3)4;1-11-13(19(21)22)10-16-18(11)12-6-5-8-17(9-7-12)14(20)23-15(2,3)4;1-11-13(16)10-19(17-11)12-6-5-8-18(9-7-12)14(20)21-15(2,3)4;1-11-13(16)10-17-19(11)12-6-5-8-18(9-7-12)14(20)21-15(2,3)4;1-11(2,3)15-10(14)12-7-4-5-9(13)6-8-12;1-11-7(10)5-2-3-9-4-6(5)8;1-3-4(7(8)9)2-5-6-3;;/h2*8,10,14-15,19H,6-7,9,11-13H2,1-5H3;2*10,12H,5-9H2,1-4H3;2*10,12H,5-9,16H2,1-4H3;9,13H,4-8H2,1-3H3;2-4H,1H3;2H,1H3,(H,5,6);1H3;/q;;;;;;;;;-1;.
What are the key properties of tert-butyl 4-(4-amino-3-methylpyrazol-1-yl)azepane-1-carboxylate;tert-butyl 4-(4-amino-5-methylpyrazol-1-yl)azepane-1-carboxylate;tert-butyl 4-hydroxyazepane-1-carboxylate;tert-butyl 4-[4-[(4-methoxycarbonyl-3-pyridinyl)methyl]-3-methylpyrazol-1-yl]azepane-1-carboxylate;tert-butyl 4-[4-[(4-methoxycarbonyl-3-pyridinyl)methyl]-5-methylpyrazol-1-yl]azepane-1-carboxylate;tert-butyl 4-(3-methyl-4-nitropyrazol-1-yl)azepane-1-carboxylate;tert-butyl 4-(5-methyl-4-nitropyrazol-1-yl)azepane-1-carboxylate;carbanide;methyl 3-bromopyridine-4-carboxylate;5-methyl-4-nitro-1H-pyrazole;palladium?
tert-butyl 4-(4-amino-3-methylpyrazol-1-yl)azepane-1-carboxylate;tert-butyl 4-(4-amino-5-methylpyrazol-1-yl)azepane-1-carboxylate;tert-butyl 4-hydroxyazepane-1-carboxylate;tert-butyl 4-[4-[(4-methoxycarbonyl-3-pyridinyl)methyl]-3-methylpyrazol-1-yl]azepane-1-carboxylate;tert-butyl 4-[4-[(4-methoxycarbonyl-3-pyridinyl)methyl]-5-methylpyrazol-1-yl]azepane-1-carboxylate;tert-butyl 4-(3-methyl-4-nitropyrazol-1-yl)azepane-1-carboxylate;tert-butyl 4-(5-methyl-4-nitropyrazol-1-yl)azepane-1-carboxylate;carbanide;methyl 3-bromopyridine-4-carboxylate;5-methyl-4-nitro-1H-pyrazole;palladium has a molecular weight of 2774.51 g/mol, XLogP of 23.92, 16 rotatable bonds, 4 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(4-amino-3-methylpyrazol-1-yl)azepane-1-carboxylate;tert-butyl 4-(4-amino-5-methylpyrazol-1-yl)azepane-1-carboxylate;tert-butyl 4-hydroxyazepane-1-carboxylate;tert-butyl 4-[4-[(4-methoxycarbonyl-3-pyridinyl)methyl]-3-methylpyrazol-1-yl]azepane-1-carboxylate;tert-butyl 4-[4-[(4-methoxycarbonyl-3-pyridinyl)methyl]-5-methylpyrazol-1-yl]azepane-1-carboxylate;tert-butyl 4-(3-methyl-4-nitropyrazol-1-yl)azepane-1-carboxylate;tert-butyl 4-(5-methyl-4-nitropyrazol-1-yl)azepane-1-carboxylate;carbanide;methyl 3-bromopyridine-4-carboxylate;5-methyl-4-nitro-1H-pyrazole;palladium is sourced from PubChem (CID 159986737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).