N,N-bis(2-methoxyethyl)-5-methylthiophene-2-carboxamide;2-(3,4-dimethylpyrazol-1-yl)ethanol;2-(4,5-dimethylpyrazol-1-yl)ethanol;1,4-dimethyl-3-(trifluoromethyl)pyrazole;1,4-dimethyl-5-(trifluoromethyl)pyrazole;bis(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);bis(2-[3,4-dimethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol);N-(methoxymethyl)-N,5-dimethylthiophene-2-carboxamide;5-methylthiophene-2-carboxamide;1-(5-methylthiophen-2-yl)propan-1-one;2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol;2-[4-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol;bis(1,3,4,5-tetramethylpyrazole);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;3,4,5-trimethyl-1H-pyrazole;bis(2-(3,4,5-trimethylpyrazol-1-yl)ethanol);N,N,5-trimethylthiophene-2-carboxamide;bis(1,3,4-trimethyl-5-(trifluoromethyl)pyrazole)

C173H252F30N42O16S5 — CID 159467138

IUPACN,N-bis(2-methoxyethyl)-5-methylthiophene-2-carboxamide;2-(3,4-dimethylpyrazol-1-yl)ethanol;2-(4,5-dimethylpyrazol-1-yl)ethanol;1,4-dimethyl-3-(trifluoromethyl)pyrazole;1,4-dimethyl-5-(trifluoromethyl)pyrazole;bis(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);bis(2-[3,4-dimethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol);N-(methoxymethyl)-N,5-dimethylthiophene-2-carboxamide;5-methylthiophene-2-carboxamide;1-(5-methylthiophen-2-yl)propan-1-one;2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol;2-[4-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol;bis(1,3,4,5-tetramethylpyrazole);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;3,4,5-trimethyl-1H-pyrazole;bis(2-(3,4,5-trimethylpyrazol-1-yl)ethanol);N,N,5-trimethylthiophene-2-carboxamide;bis(1,3,4-trimethyl-5-(trifluoromethyl)pyrazole)
SMILESCCC(=O)c1ccc(C)s1.COCCN(CCOC)C(=O)c1ccc(C)s1.COCN(C)C(=O)c1ccc(C)s1.Cc1[nH]nc(C(F)(F)F)c1C.Cc1[nH]nc(C(F)(F)F)c1C.Cc1ccc(C(=O)N(C)C)s1.Cc1ccc(C(N)=O)s1.Cc1cn(C)nc1C.Cc1cn(C)nc1C(F)(F)F.Cc1cn(CCO)nc1C.Cc1cn(CCO)nc1C(F)(F)F.Cc1cnn(C)c1C.Cc1cnn(C)c1C(F)(F)F.Cc1cnn(CCO)c1C.Cc1cnn(CCO)c1C(F)(F)F.Cc1n[nH]c(C)c1C.Cc1nn(C)c(C(F)(F)F)c1C.Cc1nn(C)c(C(F)(F)F)c1C.Cc1nn(C)c(C)c1C.Cc1nn(C)c(C)c1C.Cc1nn(CCO)c(C(F)(F)F)c1C.Cc1nn(CCO)c(C(F)(F)F)c1C.Cc1nn(CCO)c(C)c1C.Cc1nn(CCO)c(C)c1C
InChIInChI=1S/C12H19NO3S.C9H13NO2S.2C8H11F3N2O.2C8H14N2O.C8H11NOS.C8H10OS.2C7H9F3N2O.2C7H9F3N2.2C7H12N2O.2C7H12N2.4C6H7F3N2.3C6H10N2.C6H7NOS/c1-10-4-5-11(17-10)12(14)13(6-8-15-2)7-9-16-3;1-7-4-5-8(13-7)9(11)10(2)6-12-3;2*1-5-6(2)12-13(3-4-14)7(5)8(9,10)11;2*1-6-7(2)9-10(4-5-11)8(6)3;1-6-4-5-7(11-6)8(10)9(2)3;1-3-7(9)8-5-4-6(2)10-8;1-5-4-12(2-3-13)11-6(5)7(8,9)10;1-5-4-11-12(2-3-13)6(5)7(8,9)10;2*1-4-5(2)11-12(3)6(4)7(8,9)10;1-6-5-9(3-4-10)8-7(6)2;1-6-5-8-9(3-4-10)7(6)2;2*1-5-6(2)8-9(4)7(5)3;1-4-3-11(2)10-5(4)6(7,8)9;1-4-3-10-11(2)5(4)6(7,8)9;2*1-3-4(2)10-11-5(3)6(7,8)9;1-5-4-8(3)7-6(5)2;1-5-4-7-8(3)6(5)2;1-4-5(2)7-8-6(4)3;1-4-2-3-5(9-4)6(7)8/h4-5H,6-9H2,1-3H3;4-5H,6H2,1-3H3;2*14H,3-4H2,1-2H3;2*11H,4-5H2,1-3H3;4-5H,1-3H3;4-5H,3H2,1-2H3;2*4,13H,2-3H2,1H3;2*1-3H3;2*5,10H,3-4H2,1-2H3;2*1-4H3;2*3H,1-2H3;2*1-2H3,(H,10,11);2*4H,1-3H3;1-3H3,(H,7,8);2-3H,1H3,(H2,7,8)
InChIKeyLVIHYOQLTCGUKI-UHFFFAOYSA-N
MW3906.47 g/mol
LogP34.90
Rot. Bonds30

About N,N-bis(2-methoxyethyl)-5-methylthiophene-2-carboxamide;2-(3,4-dimethylpyrazol-1-yl)ethanol;2-(4,5-dimethylpyrazol-1-yl)ethanol;1,4-dimethyl-3-(trifluoromethyl)pyrazole;1,4-dimethyl-5-(trifluoromethyl)pyrazole;bis(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);bis(2-[3,4-dimethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol);N-(methoxymethyl)-N,5-dimethylthiophene-2-carboxamide;5-methylthiophene-2-carboxamide;1-(5-methylthiophen-2-yl)propan-1-one;2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol;2-[4-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol;bis(1,3,4,5-tetramethylpyrazole);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;3,4,5-trimethyl-1H-pyrazole;bis(2-(3,4,5-trimethylpyrazol-1-yl)ethanol);N,N,5-trimethylthiophene-2-carboxamide;bis(1,3,4-trimethyl-5-(trifluoromethyl)pyrazole)

N,N-bis(2-methoxyethyl)-5-methylthiophene-2-carboxamide;2-(3,4-dimethylpyrazol-1-yl)ethanol;2-(4,5-dimethylpyrazol-1-yl)ethanol;1,4-dimethyl-3-(trifluoromethyl)pyrazole;1,4-dimethyl-5-(trifluoromethyl)pyrazole;bis(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);bis(2-[3,4-dimethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol);N-(methoxymethyl)-N,5-dimethylthiophene-2-carboxamide;5-methylthiophene-2-carboxamide;1-(5-methylthiophen-2-yl)propan-1-one;2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol;2-[4-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol;bis(1,3,4,5-tetramethylpyrazole);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;3,4,5-trimethyl-1H-pyrazole;bis(2-(3,4,5-trimethylpyrazol-1-yl)ethanol);N,N,5-trimethylthiophene-2-carboxamide;bis(1,3,4-trimethyl-5-(trifluoromethyl)pyrazole) (PubChem CID 159467138) has the molecular formula C173H252F30N42O16S5 and a molecular weight of 3906.47 g/mol. Its IUPAC name is N,N-bis(2-methoxyethyl)-5-methylthiophene-2-carboxamide;2-(3,4-dimethylpyrazol-1-yl)ethanol;2-(4,5-dimethylpyrazol-1-yl)ethanol;1,4-dimethyl-3-(trifluoromethyl)pyrazole;1,4-dimethyl-5-(trifluoromethyl)pyrazole;bis(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);bis(2-[3,4-dimethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol);N-(methoxymethyl)-N,5-dimethylthiophene-2-carboxamide;5-methylthiophene-2-carboxamide;1-(5-methylthiophen-2-yl)propan-1-one;2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol;2-[4-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol;bis(1,3,4,5-tetramethylpyrazole);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;3,4,5-trimethyl-1H-pyrazole;bis(2-(3,4,5-trimethylpyrazol-1-yl)ethanol);N,N,5-trimethylthiophene-2-carboxamide;bis(1,3,4-trimethyl-5-(trifluoromethyl)pyrazole).

Molecular Properties

Compound NameN,N-bis(2-methoxyethyl)-5-methylthiophene-2-carboxamide;2-(3,4-dimethylpyrazol-1-yl)ethanol;2-(4,5-dimethylpyrazol-1-yl)ethanol;1,4-dimethyl-3-(trifluoromethyl)pyrazole;1,4-dimethyl-5-(trifluoromethyl)pyrazole;bis(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);bis(2-[3,4-dimethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol);N-(methoxymethyl)-N,5-dimethylthiophene-2-carboxamide;5-methylthiophene-2-carboxamide;1-(5-methylthiophen-2-yl)propan-1-one;2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol;2-[4-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol;bis(1,3,4,5-tetramethylpyrazole);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;3,4,5-trimethyl-1H-pyrazole;bis(2-(3,4,5-trimethylpyrazol-1-yl)ethanol);N,N,5-trimethylthiophene-2-carboxamide;bis(1,3,4-trimethyl-5-(trifluoromethyl)pyrazole)
PubChem CID159467138
Molecular FormulaC173H252F30N42O16S5
Molecular Weight3906.47 g/mol
Exact Mass3903.83
IUPAC NameN,N-bis(2-methoxyethyl)-5-methylthiophene-2-carboxamide;2-(3,4-dimethylpyrazol-1-yl)ethanol;2-(4,5-dimethylpyrazol-1-yl)ethanol;1,4-dimethyl-3-(trifluoromethyl)pyrazole;1,4-dimethyl-5-(trifluoromethyl)pyrazole;bis(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);bis(2-[3,4-dimethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol);N-(methoxymethyl)-N,5-dimethylthiophene-2-carboxamide;5-methylthiophene-2-carboxamide;1-(5-methylthiophen-2-yl)propan-1-one;2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol;2-[4-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol;bis(1,3,4,5-tetramethylpyrazole);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;3,4,5-trimethyl-1H-pyrazole;bis(2-(3,4,5-trimethylpyrazol-1-yl)ethanol);N,N,5-trimethylthiophene-2-carboxamide;bis(1,3,4-trimethyl-5-(trifluoromethyl)pyrazole)
SMILESCCC(=O)c1ccc(C)s1.COCCN(CCOC)C(=O)c1ccc(C)s1.COCN(C)C(=O)c1ccc(C)s1.Cc1[nH]nc(C(F)(F)F)c1C.Cc1[nH]nc(C(F)(F)F)c1C.Cc1ccc(C(=O)N(C)C)s1.Cc1ccc(C(N)=O)s1.Cc1cn(C)nc1C.Cc1cn(C)nc1C(F)(F)F.Cc1cn(CCO)nc1C.Cc1cn(CCO)nc1C(F)(F)F.Cc1cnn(C)c1C.Cc1cnn(C)c1C(F)(F)F.Cc1cnn(CCO)c1C.Cc1cnn(CCO)c1C(F)(F)F.Cc1n[nH]c(C)c1C.Cc1nn(C)c(C(F)(F)F)c1C.Cc1nn(C)c(C(F)(F)F)c1C.Cc1nn(C)c(C)c1C.Cc1nn(C)c(C)c1C.Cc1nn(CCO)c(C(F)(F)F)c1C.Cc1nn(CCO)c(C(F)(F)F)c1C.Cc1nn(CCO)c(C)c1C.Cc1nn(CCO)c(C)c1C
InChIInChI=1S/C12H19NO3S.C9H13NO2S.2C8H11F3N2O.2C8H14N2O.C8H11NOS.C8H10OS.2C7H9F3N2O.2C7H9F3N2.2C7H12N2O.2C7H12N2.4C6H7F3N2.3C6H10N2.C6H7NOS/c1-10-4-5-11(17-10)12(14)13(6-8-15-2)7-9-16-3;1-7-4-5-8(13-7)9(11)10(2)6-12-3;2*1-5-6(2)12-13(3-4-14)7(5)8(9,10)11;2*1-6-7(2)9-10(4-5-11)8(6)3;1-6-4-5-7(11-6)8(10)9(2)3;1-3-7(9)8-5-4-6(2)10-8;1-5-4-12(2-3-13)11-6(5)7(8,9)10;1-5-4-11-12(2-3-13)6(5)7(8,9)10;2*1-4-5(2)11-12(3)6(4)7(8,9)10;1-6-5-9(3-4-10)8-7(6)2;1-6-5-8-9(3-4-10)7(6)2;2*1-5-6(2)8-9(4)7(5)3;1-4-3-11(2)10-5(4)6(7,8)9;1-4-3-10-11(2)5(4)6(7,8)9;2*1-3-4(2)10-11-5(3)6(7,8)9;1-5-4-8(3)7-6(5)2;1-5-4-7-8(3)6(5)2;1-4-5(2)7-8-6(4)3;1-4-2-3-5(9-4)6(7)8/h4-5H,6-9H2,1-3H3;4-5H,6H2,1-3H3;2*14H,3-4H2,1-2H3;2*11H,4-5H2,1-3H3;4-5H,1-3H3;4-5H,3H2,1-2H3;2*4,13H,2-3H2,1H3;2*1-3H3;2*5,10H,3-4H2,1-2H3;2*1-4H3;2*3H,1-2H3;2*1-2H3,(H,10,11);2*4H,1-3H3;1-3H3,(H,7,8);2-3H,1H3,(H2,7,8)
InChIKeyLVIHYOQLTCGUKI-UHFFFAOYSA-N
XLogP34.90
TPSA681.78 Ų
H-Bond Donors12
H-Bond Acceptors56
Rotatable Bonds30
Heavy Atoms266
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003906.47
LogP ≤ 534.90
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1056

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N,N-bis(2-methoxyethyl)-5-methylthiophene-2-carboxamide;2-(3,4-dimethylpyrazol-1-yl)ethanol;2-(4,5-dimethylpyrazol-1-yl)ethanol;1,4-dimethyl-3-(trifluoromethyl)pyrazole;1,4-dimethyl-5-(trifluoromethyl)pyrazole;bis(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);bis(2-[3,4-dimethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol);N-(methoxymethyl)-N,5-dimethylthiophene-2-carboxamide;5-methylthiophene-2-carboxamide;1-(5-methylthiophen-2-yl)propan-1-one;2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol;2-[4-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol;bis(1,3,4,5-tetramethylpyrazole);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;3,4,5-trimethyl-1H-pyrazole;bis(2-(3,4,5-trimethylpyrazol-1-yl)ethanol);N,N,5-trimethylthiophene-2-carboxamide;bis(1,3,4-trimethyl-5-(trifluoromethyl)pyrazole) with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methoxyethyl)-5-methylthiophene-2-carboxamide;2-(3,4-dimethylpyrazol-1-yl)ethanol;2-(4,5-dimethylpyrazol-1-yl)ethanol;1,4-dimethyl-3-(trifluoromethyl)pyrazole;1,4-dimethyl-5-(trifluoromethyl)pyrazole;bis(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);bis(2-[3,4-dimethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol);N-(methoxymethyl)-N,5-dimethylthiophene-2-carboxamide;5-methylthiophene-2-carboxamide;1-(5-methylthiophen-2-yl)propan-1-one;2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol;2-[4-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol;bis(1,3,4,5-tetramethylpyrazole);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;3,4,5-trimethyl-1H-pyrazole;bis(2-(3,4,5-trimethylpyrazol-1-yl)ethanol);N,N,5-trimethylthiophene-2-carboxamide;bis(1,3,4-trimethyl-5-(trifluoromethyl)pyrazole)?
The IUPAC name of N,N-bis(2-methoxyethyl)-5-methylthiophene-2-carboxamide;2-(3,4-dimethylpyrazol-1-yl)ethanol;2-(4,5-dimethylpyrazol-1-yl)ethanol;1,4-dimethyl-3-(trifluoromethyl)pyrazole;1,4-dimethyl-5-(trifluoromethyl)pyrazole;bis(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);bis(2-[3,4-dimethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol);N-(methoxymethyl)-N,5-dimethylthiophene-2-carboxamide;5-methylthiophene-2-carboxamide;1-(5-methylthiophen-2-yl)propan-1-one;2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol;2-[4-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol;bis(1,3,4,5-tetramethylpyrazole);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;3,4,5-trimethyl-1H-pyrazole;bis(2-(3,4,5-trimethylpyrazol-1-yl)ethanol);N,N,5-trimethylthiophene-2-carboxamide;bis(1,3,4-trimethyl-5-(trifluoromethyl)pyrazole) (CID 159467138) is N,N-bis(2-methoxyethyl)-5-methylthiophene-2-carboxamide;2-(3,4-dimethylpyrazol-1-yl)ethanol;2-(4,5-dimethylpyrazol-1-yl)ethanol;1,4-dimethyl-3-(trifluoromethyl)pyrazole;1,4-dimethyl-5-(trifluoromethyl)pyrazole;bis(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);bis(2-[3,4-dimethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol);N-(methoxymethyl)-N,5-dimethylthiophene-2-carboxamide;5-methylthiophene-2-carboxamide;1-(5-methylthiophen-2-yl)propan-1-one;2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol;2-[4-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol;bis(1,3,4,5-tetramethylpyrazole);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;3,4,5-trimethyl-1H-pyrazole;bis(2-(3,4,5-trimethylpyrazol-1-yl)ethanol);N,N,5-trimethylthiophene-2-carboxamide;bis(1,3,4-trimethyl-5-(trifluoromethyl)pyrazole).
What is the SMILES notation for N,N-bis(2-methoxyethyl)-5-methylthiophene-2-carboxamide;2-(3,4-dimethylpyrazol-1-yl)ethanol;2-(4,5-dimethylpyrazol-1-yl)ethanol;1,4-dimethyl-3-(trifluoromethyl)pyrazole;1,4-dimethyl-5-(trifluoromethyl)pyrazole;bis(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);bis(2-[3,4-dimethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol);N-(methoxymethyl)-N,5-dimethylthiophene-2-carboxamide;5-methylthiophene-2-carboxamide;1-(5-methylthiophen-2-yl)propan-1-one;2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol;2-[4-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol;bis(1,3,4,5-tetramethylpyrazole);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;3,4,5-trimethyl-1H-pyrazole;bis(2-(3,4,5-trimethylpyrazol-1-yl)ethanol);N,N,5-trimethylthiophene-2-carboxamide;bis(1,3,4-trimethyl-5-(trifluoromethyl)pyrazole)?
The canonical SMILES for N,N-bis(2-methoxyethyl)-5-methylthiophene-2-carboxamide;2-(3,4-dimethylpyrazol-1-yl)ethanol;2-(4,5-dimethylpyrazol-1-yl)ethanol;1,4-dimethyl-3-(trifluoromethyl)pyrazole;1,4-dimethyl-5-(trifluoromethyl)pyrazole;bis(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);bis(2-[3,4-dimethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol);N-(methoxymethyl)-N,5-dimethylthiophene-2-carboxamide;5-methylthiophene-2-carboxamide;1-(5-methylthiophen-2-yl)propan-1-one;2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol;2-[4-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol;bis(1,3,4,5-tetramethylpyrazole);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;3,4,5-trimethyl-1H-pyrazole;bis(2-(3,4,5-trimethylpyrazol-1-yl)ethanol);N,N,5-trimethylthiophene-2-carboxamide;bis(1,3,4-trimethyl-5-(trifluoromethyl)pyrazole) is CCC(=O)c1ccc(C)s1.COCCN(CCOC)C(=O)c1ccc(C)s1.COCN(C)C(=O)c1ccc(C)s1.Cc1[nH]nc(C(F)(F)F)c1C.Cc1[nH]nc(C(F)(F)F)c1C.Cc1ccc(C(=O)N(C)C)s1.Cc1ccc(C(N)=O)s1.Cc1cn(C)nc1C.Cc1cn(C)nc1C(F)(F)F.Cc1cn(CCO)nc1C.Cc1cn(CCO)nc1C(F)(F)F.Cc1cnn(C)c1C.Cc1cnn(C)c1C(F)(F)F.Cc1cnn(CCO)c1C.Cc1cnn(CCO)c1C(F)(F)F.Cc1n[nH]c(C)c1C.Cc1nn(C)c(C(F)(F)F)c1C.Cc1nn(C)c(C(F)(F)F)c1C.Cc1nn(C)c(C)c1C.Cc1nn(C)c(C)c1C.Cc1nn(CCO)c(C(F)(F)F)c1C.Cc1nn(CCO)c(C(F)(F)F)c1C.Cc1nn(CCO)c(C)c1C.Cc1nn(CCO)c(C)c1C.
What is the InChIKey of N,N-bis(2-methoxyethyl)-5-methylthiophene-2-carboxamide;2-(3,4-dimethylpyrazol-1-yl)ethanol;2-(4,5-dimethylpyrazol-1-yl)ethanol;1,4-dimethyl-3-(trifluoromethyl)pyrazole;1,4-dimethyl-5-(trifluoromethyl)pyrazole;bis(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);bis(2-[3,4-dimethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol);N-(methoxymethyl)-N,5-dimethylthiophene-2-carboxamide;5-methylthiophene-2-carboxamide;1-(5-methylthiophen-2-yl)propan-1-one;2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol;2-[4-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol;bis(1,3,4,5-tetramethylpyrazole);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;3,4,5-trimethyl-1H-pyrazole;bis(2-(3,4,5-trimethylpyrazol-1-yl)ethanol);N,N,5-trimethylthiophene-2-carboxamide;bis(1,3,4-trimethyl-5-(trifluoromethyl)pyrazole)?
The InChIKey is LVIHYOQLTCGUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S.C9H13NO2S.2C8H11F3N2O.2C8H14N2O.C8H11NOS.C8H10OS.2C7H9F3N2O.2C7H9F3N2.2C7H12N2O.2C7H12N2.4C6H7F3N2.3C6H10N2.C6H7NOS/c1-10-4-5-11(17-10)12(14)13(6-8-15-2)7-9-16-3;1-7-4-5-8(13-7)9(11)10(2)6-12-3;2*1-5-6(2)12-13(3-4-14)7(5)8(9,10)11;2*1-6-7(2)9-10(4-5-11)8(6)3;1-6-4-5-7(11-6)8(10)9(2)3;1-3-7(9)8-5-4-6(2)10-8;1-5-4-12(2-3-13)11-6(5)7(8,9)10;1-5-4-11-12(2-3-13)6(5)7(8,9)10;2*1-4-5(2)11-12(3)6(4)7(8,9)10;1-6-5-9(3-4-10)8-7(6)2;1-6-5-8-9(3-4-10)7(6)2;2*1-5-6(2)8-9(4)7(5)3;1-4-3-11(2)10-5(4)6(7,8)9;1-4-3-10-11(2)5(4)6(7,8)9;2*1-3-4(2)10-11-5(3)6(7,8)9;1-5-4-8(3)7-6(5)2;1-5-4-7-8(3)6(5)2;1-4-5(2)7-8-6(4)3;1-4-2-3-5(9-4)6(7)8/h4-5H,6-9H2,1-3H3;4-5H,6H2,1-3H3;2*14H,3-4H2,1-2H3;2*11H,4-5H2,1-3H3;4-5H,1-3H3;4-5H,3H2,1-2H3;2*4,13H,2-3H2,1H3;2*1-3H3;2*5,10H,3-4H2,1-2H3;2*1-4H3;2*3H,1-2H3;2*1-2H3,(H,10,11);2*4H,1-3H3;1-3H3,(H,7,8);2-3H,1H3,(H2,7,8).
What are the key properties of N,N-bis(2-methoxyethyl)-5-methylthiophene-2-carboxamide;2-(3,4-dimethylpyrazol-1-yl)ethanol;2-(4,5-dimethylpyrazol-1-yl)ethanol;1,4-dimethyl-3-(trifluoromethyl)pyrazole;1,4-dimethyl-5-(trifluoromethyl)pyrazole;bis(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);bis(2-[3,4-dimethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol);N-(methoxymethyl)-N,5-dimethylthiophene-2-carboxamide;5-methylthiophene-2-carboxamide;1-(5-methylthiophen-2-yl)propan-1-one;2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol;2-[4-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol;bis(1,3,4,5-tetramethylpyrazole);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;3,4,5-trimethyl-1H-pyrazole;bis(2-(3,4,5-trimethylpyrazol-1-yl)ethanol);N,N,5-trimethylthiophene-2-carboxamide;bis(1,3,4-trimethyl-5-(trifluoromethyl)pyrazole)?
N,N-bis(2-methoxyethyl)-5-methylthiophene-2-carboxamide;2-(3,4-dimethylpyrazol-1-yl)ethanol;2-(4,5-dimethylpyrazol-1-yl)ethanol;1,4-dimethyl-3-(trifluoromethyl)pyrazole;1,4-dimethyl-5-(trifluoromethyl)pyrazole;bis(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);bis(2-[3,4-dimethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol);N-(methoxymethyl)-N,5-dimethylthiophene-2-carboxamide;5-methylthiophene-2-carboxamide;1-(5-methylthiophen-2-yl)propan-1-one;2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol;2-[4-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol;bis(1,3,4,5-tetramethylpyrazole);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;3,4,5-trimethyl-1H-pyrazole;bis(2-(3,4,5-trimethylpyrazol-1-yl)ethanol);N,N,5-trimethylthiophene-2-carboxamide;bis(1,3,4-trimethyl-5-(trifluoromethyl)pyrazole) has a molecular weight of 3906.47 g/mol, XLogP of 34.90, 30 rotatable bonds, 12 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methoxyethyl)-5-methylthiophene-2-carboxamide;2-(3,4-dimethylpyrazol-1-yl)ethanol;2-(4,5-dimethylpyrazol-1-yl)ethanol;1,4-dimethyl-3-(trifluoromethyl)pyrazole;1,4-dimethyl-5-(trifluoromethyl)pyrazole;bis(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);bis(2-[3,4-dimethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol);N-(methoxymethyl)-N,5-dimethylthiophene-2-carboxamide;5-methylthiophene-2-carboxamide;1-(5-methylthiophen-2-yl)propan-1-one;2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol;2-[4-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol;bis(1,3,4,5-tetramethylpyrazole);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;3,4,5-trimethyl-1H-pyrazole;bis(2-(3,4,5-trimethylpyrazol-1-yl)ethanol);N,N,5-trimethylthiophene-2-carboxamide;bis(1,3,4-trimethyl-5-(trifluoromethyl)pyrazole) is sourced from PubChem (CID 159467138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).