2-chloro-4-methylpyridine;3,5-dimethyl-2H-indazole;4,5-dimethyl-1H-pyrazole;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);2-[3,4-dimethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol;3-methyl-1H-imidazol-3-ium;5-methyl-2-piperidin-1-ylpyridine;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol;bis(1,3,4,5-tetramethylpyrazole);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;bis(3,4,5-trimethyl-1H-pyrazole);bis(2-(3,4,5-trimethylpyrazol-1-yl)ethanol);bis(1,3,4-trimethyl-5-(trifluoromethyl)pyrazole)

C175H248ClF30N50O6+ — CID 160764434

IUPAC2-chloro-4-methylpyridine;3,5-dimethyl-2H-indazole;4,5-dimethyl-1H-pyrazole;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);2-[3,4-dimethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol;3-methyl-1H-imidazol-3-ium;5-methyl-2-piperidin-1-ylpyridine;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol;bis(1,3,4,5-tetramethylpyrazole);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;bis(3,4,5-trimethyl-1H-pyrazole);bis(2-(3,4,5-trimethylpyrazol-1-yl)ethanol);bis(1,3,4-trimethyl-5-(trifluoromethyl)pyrazole)
SMILESC[n+]1cc[nH]c1.Cc1[nH]nc(C(F)(F)F)c1C.Cc1[nH]nc(C(F)(F)F)c1C.Cc1ccc(N2CCCCC2)nc1.Cc1ccc(N2CCOCC2)nc1.Cc1ccc2n[nH]c(C)c2c1.Cc1cccnc1.Cc1ccnc(Cl)c1.Cc1cn(C)nc1C.Cc1cn(C)nc1C(F)(F)F.Cc1cn(CCO)nc1C(F)(F)F.Cc1cn[nH]c1C.Cc1cn[nH]c1C(F)(F)F.Cc1cn[nH]c1C(F)(F)F.Cc1cnn(C)c1C.Cc1cnn(C)c1C(F)(F)F.Cc1cnn(CCO)c1C.Cc1n[nH]c(C)c1C.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)c1C.Cc1nn(CCO)c(C)c1C
InChIInChI=1S/C11H16N2.C10H14N2O.C9H10N2.C8H11F3N2O.2C8H14N2O.C7H9F3N2O.2C7H9F3N2.C7H12N2O.2C7H12N2.C6H6ClN.4C6H7F3N2.4C6H10N2.C6H7N.2C5H5F3N2.C5H8N2.C4H6N2/c1-10-5-6-11(12-9-10)13-7-3-2-4-8-13;1-9-2-3-10(11-8-9)12-4-6-13-7-5-12;1-6-3-4-9-8(5-6)7(2)10-11-9;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;1-5-4-12(2-3-13)11-6(5)7(8,9)10;2*1-4-5(2)11-12(3)6(4)7(8,9)10;1-6-5-8-9(3-4-10)7(6)2;2*1-5-6(2)8-9(4)7(5)3;1-5-2-3-8-6(7)4-5;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;2*1-4-5(2)7-8-6(4)3;1-6-3-2-4-7-5-6;2*1-3-2-9-10-4(3)5(6,7)8;1-4-3-6-7-5(4)2;1-6-3-2-5-4-6/h5-6,9H,2-4,7-8H2,1H3;2-3,8H,4-7H2,1H3;3-5H,1-2H3,(H,10,11);14H,3-4H2,1-2H3;2*11H,4-5H2,1-3H3;4,13H,2-3H2,1H3;2*1-3H3;5,10H,3-4H2,1-2H3;2*1-4H3;2-4H,1H3;2*3H,1-2H3;2*1-2H3,(H,10,11);2*4H,1-3H3;2*1-3H3,(H,7,8);2-5H,1H3;2*2H,1H3,(H,9,10);3H,1-2H3,(H,6,7);2-4H,1H3/p+1
InChIKeyHLRKGHQBCPHBKS-UHFFFAOYSA-O
MW3753.65 g/mol
LogP37.50
Rot. Bonds12

About 2-chloro-4-methylpyridine;3,5-dimethyl-2H-indazole;4,5-dimethyl-1H-pyrazole;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);2-[3,4-dimethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol;3-methyl-1H-imidazol-3-ium;5-methyl-2-piperidin-1-ylpyridine;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol;bis(1,3,4,5-tetramethylpyrazole);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;bis(3,4,5-trimethyl-1H-pyrazole);bis(2-(3,4,5-trimethylpyrazol-1-yl)ethanol);bis(1,3,4-trimethyl-5-(trifluoromethyl)pyrazole)

2-chloro-4-methylpyridine;3,5-dimethyl-2H-indazole;4,5-dimethyl-1H-pyrazole;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);2-[3,4-dimethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol;3-methyl-1H-imidazol-3-ium;5-methyl-2-piperidin-1-ylpyridine;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol;bis(1,3,4,5-tetramethylpyrazole);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;bis(3,4,5-trimethyl-1H-pyrazole);bis(2-(3,4,5-trimethylpyrazol-1-yl)ethanol);bis(1,3,4-trimethyl-5-(trifluoromethyl)pyrazole) (PubChem CID 160764434) has the molecular formula C175H248ClF30N50O6+ and a molecular weight of 3753.65 g/mol. Its IUPAC name is 2-chloro-4-methylpyridine;3,5-dimethyl-2H-indazole;4,5-dimethyl-1H-pyrazole;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);2-[3,4-dimethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol;3-methyl-1H-imidazol-3-ium;5-methyl-2-piperidin-1-ylpyridine;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol;bis(1,3,4,5-tetramethylpyrazole);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;bis(3,4,5-trimethyl-1H-pyrazole);bis(2-(3,4,5-trimethylpyrazol-1-yl)ethanol);bis(1,3,4-trimethyl-5-(trifluoromethyl)pyrazole).

Molecular Properties

Compound Name2-chloro-4-methylpyridine;3,5-dimethyl-2H-indazole;4,5-dimethyl-1H-pyrazole;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);2-[3,4-dimethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol;3-methyl-1H-imidazol-3-ium;5-methyl-2-piperidin-1-ylpyridine;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol;bis(1,3,4,5-tetramethylpyrazole);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;bis(3,4,5-trimethyl-1H-pyrazole);bis(2-(3,4,5-trimethylpyrazol-1-yl)ethanol);bis(1,3,4-trimethyl-5-(trifluoromethyl)pyrazole)
PubChem CID160764434
Molecular FormulaC175H248ClF30N50O6+
Molecular Weight3753.65 g/mol
Exact Mass3750.98
IUPAC Name2-chloro-4-methylpyridine;3,5-dimethyl-2H-indazole;4,5-dimethyl-1H-pyrazole;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);2-[3,4-dimethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol;3-methyl-1H-imidazol-3-ium;5-methyl-2-piperidin-1-ylpyridine;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol;bis(1,3,4,5-tetramethylpyrazole);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;bis(3,4,5-trimethyl-1H-pyrazole);bis(2-(3,4,5-trimethylpyrazol-1-yl)ethanol);bis(1,3,4-trimethyl-5-(trifluoromethyl)pyrazole)
SMILESC[n+]1cc[nH]c1.Cc1[nH]nc(C(F)(F)F)c1C.Cc1[nH]nc(C(F)(F)F)c1C.Cc1ccc(N2CCCCC2)nc1.Cc1ccc(N2CCOCC2)nc1.Cc1ccc2n[nH]c(C)c2c1.Cc1cccnc1.Cc1ccnc(Cl)c1.Cc1cn(C)nc1C.Cc1cn(C)nc1C(F)(F)F.Cc1cn(CCO)nc1C(F)(F)F.Cc1cn[nH]c1C.Cc1cn[nH]c1C(F)(F)F.Cc1cn[nH]c1C(F)(F)F.Cc1cnn(C)c1C.Cc1cnn(C)c1C(F)(F)F.Cc1cnn(CCO)c1C.Cc1n[nH]c(C)c1C.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)c1C.Cc1nn(CCO)c(C)c1C
InChIInChI=1S/C11H16N2.C10H14N2O.C9H10N2.C8H11F3N2O.2C8H14N2O.C7H9F3N2O.2C7H9F3N2.C7H12N2O.2C7H12N2.C6H6ClN.4C6H7F3N2.4C6H10N2.C6H7N.2C5H5F3N2.C5H8N2.C4H6N2/c1-10-5-6-11(12-9-10)13-7-3-2-4-8-13;1-9-2-3-10(11-8-9)12-4-6-13-7-5-12;1-6-3-4-9-8(5-6)7(2)10-11-9;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;1-5-4-12(2-3-13)11-6(5)7(8,9)10;2*1-4-5(2)11-12(3)6(4)7(8,9)10;1-6-5-8-9(3-4-10)7(6)2;2*1-5-6(2)8-9(4)7(5)3;1-5-2-3-8-6(7)4-5;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;2*1-4-5(2)7-8-6(4)3;1-6-3-2-4-7-5-6;2*1-3-2-9-10-4(3)5(6,7)8;1-4-3-6-7-5(4)2;1-6-3-2-5-4-6/h5-6,9H,2-4,7-8H2,1H3;2-3,8H,4-7H2,1H3;3-5H,1-2H3,(H,10,11);14H,3-4H2,1-2H3;2*11H,4-5H2,1-3H3;4,13H,2-3H2,1H3;2*1-3H3;5,10H,3-4H2,1-2H3;2*1-4H3;2-4H,1H3;2*3H,1-2H3;2*1-2H3,(H,10,11);2*4H,1-3H3;2*1-3H3,(H,7,8);2-5H,1H3;2*2H,1H3,(H,9,10);3H,1-2H3,(H,6,7);2-4H,1H3/p+1
InChIKeyHLRKGHQBCPHBKS-UHFFFAOYSA-O
XLogP37.50
TPSA649.19 Ų
H-Bond Donors14
H-Bond Acceptors46
Rotatable Bonds12
Heavy Atoms262
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003753.65
LogP ≤ 537.50
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1046

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2-chloro-4-methylpyridine;3,5-dimethyl-2H-indazole;4,5-dimethyl-1H-pyrazole;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);2-[3,4-dimethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol;3-methyl-1H-imidazol-3-ium;5-methyl-2-piperidin-1-ylpyridine;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol;bis(1,3,4,5-tetramethylpyrazole);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;bis(3,4,5-trimethyl-1H-pyrazole);bis(2-(3,4,5-trimethylpyrazol-1-yl)ethanol);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 2-chloro-4-methylpyridine;3,5-dimethyl-2H-indazole;4,5-dimethyl-1H-pyrazole;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);2-[3,4-dimethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol;3-methyl-1H-imidazol-3-ium;5-methyl-2-piperidin-1-ylpyridine;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol;bis(1,3,4,5-tetramethylpyrazole);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;bis(3,4,5-trimethyl-1H-pyrazole);bis(2-(3,4,5-trimethylpyrazol-1-yl)ethanol);bis(1,3,4-trimethyl-5-(trifluoromethyl)pyrazole)?
The IUPAC name of 2-chloro-4-methylpyridine;3,5-dimethyl-2H-indazole;4,5-dimethyl-1H-pyrazole;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);2-[3,4-dimethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol;3-methyl-1H-imidazol-3-ium;5-methyl-2-piperidin-1-ylpyridine;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol;bis(1,3,4,5-tetramethylpyrazole);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;bis(3,4,5-trimethyl-1H-pyrazole);bis(2-(3,4,5-trimethylpyrazol-1-yl)ethanol);bis(1,3,4-trimethyl-5-(trifluoromethyl)pyrazole) (CID 160764434) is 2-chloro-4-methylpyridine;3,5-dimethyl-2H-indazole;4,5-dimethyl-1H-pyrazole;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);2-[3,4-dimethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol;3-methyl-1H-imidazol-3-ium;5-methyl-2-piperidin-1-ylpyridine;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol;bis(1,3,4,5-tetramethylpyrazole);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;bis(3,4,5-trimethyl-1H-pyrazole);bis(2-(3,4,5-trimethylpyrazol-1-yl)ethanol);bis(1,3,4-trimethyl-5-(trifluoromethyl)pyrazole).
What is the SMILES notation for 2-chloro-4-methylpyridine;3,5-dimethyl-2H-indazole;4,5-dimethyl-1H-pyrazole;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);2-[3,4-dimethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol;3-methyl-1H-imidazol-3-ium;5-methyl-2-piperidin-1-ylpyridine;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol;bis(1,3,4,5-tetramethylpyrazole);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;bis(3,4,5-trimethyl-1H-pyrazole);bis(2-(3,4,5-trimethylpyrazol-1-yl)ethanol);bis(1,3,4-trimethyl-5-(trifluoromethyl)pyrazole)?
The canonical SMILES for 2-chloro-4-methylpyridine;3,5-dimethyl-2H-indazole;4,5-dimethyl-1H-pyrazole;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);2-[3,4-dimethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol;3-methyl-1H-imidazol-3-ium;5-methyl-2-piperidin-1-ylpyridine;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol;bis(1,3,4,5-tetramethylpyrazole);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;bis(3,4,5-trimethyl-1H-pyrazole);bis(2-(3,4,5-trimethylpyrazol-1-yl)ethanol);bis(1,3,4-trimethyl-5-(trifluoromethyl)pyrazole) is C[n+]1cc[nH]c1.Cc1[nH]nc(C(F)(F)F)c1C.Cc1[nH]nc(C(F)(F)F)c1C.Cc1ccc(N2CCCCC2)nc1.Cc1ccc(N2CCOCC2)nc1.Cc1ccc2n[nH]c(C)c2c1.Cc1cccnc1.Cc1ccnc(Cl)c1.Cc1cn(C)nc1C.Cc1cn(C)nc1C(F)(F)F.Cc1cn(CCO)nc1C(F)(F)F.Cc1cn[nH]c1C.Cc1cn[nH]c1C(F)(F)F.Cc1cn[nH]c1C(F)(F)F.Cc1cnn(C)c1C.Cc1cnn(C)c1C(F)(F)F.Cc1cnn(CCO)c1C.Cc1n[nH]c(C)c1C.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)c1C.Cc1nn(CCO)c(C)c1C.
What is the InChIKey of 2-chloro-4-methylpyridine;3,5-dimethyl-2H-indazole;4,5-dimethyl-1H-pyrazole;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);2-[3,4-dimethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol;3-methyl-1H-imidazol-3-ium;5-methyl-2-piperidin-1-ylpyridine;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol;bis(1,3,4,5-tetramethylpyrazole);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;bis(3,4,5-trimethyl-1H-pyrazole);bis(2-(3,4,5-trimethylpyrazol-1-yl)ethanol);bis(1,3,4-trimethyl-5-(trifluoromethyl)pyrazole)?
The InChIKey is HLRKGHQBCPHBKS-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H16N2.C10H14N2O.C9H10N2.C8H11F3N2O.2C8H14N2O.C7H9F3N2O.2C7H9F3N2.C7H12N2O.2C7H12N2.C6H6ClN.4C6H7F3N2.4C6H10N2.C6H7N.2C5H5F3N2.C5H8N2.C4H6N2/c1-10-5-6-11(12-9-10)13-7-3-2-4-8-13;1-9-2-3-10(11-8-9)12-4-6-13-7-5-12;1-6-3-4-9-8(5-6)7(2)10-11-9;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;1-5-4-12(2-3-13)11-6(5)7(8,9)10;2*1-4-5(2)11-12(3)6(4)7(8,9)10;1-6-5-8-9(3-4-10)7(6)2;2*1-5-6(2)8-9(4)7(5)3;1-5-2-3-8-6(7)4-5;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;2*1-4-5(2)7-8-6(4)3;1-6-3-2-4-7-5-6;2*1-3-2-9-10-4(3)5(6,7)8;1-4-3-6-7-5(4)2;1-6-3-2-5-4-6/h5-6,9H,2-4,7-8H2,1H3;2-3,8H,4-7H2,1H3;3-5H,1-2H3,(H,10,11);14H,3-4H2,1-2H3;2*11H,4-5H2,1-3H3;4,13H,2-3H2,1H3;2*1-3H3;5,10H,3-4H2,1-2H3;2*1-4H3;2-4H,1H3;2*3H,1-2H3;2*1-2H3,(H,10,11);2*4H,1-3H3;2*1-3H3,(H,7,8);2-5H,1H3;2*2H,1H3,(H,9,10);3H,1-2H3,(H,6,7);2-4H,1H3/p+1.
What are the key properties of 2-chloro-4-methylpyridine;3,5-dimethyl-2H-indazole;4,5-dimethyl-1H-pyrazole;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);2-[3,4-dimethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol;3-methyl-1H-imidazol-3-ium;5-methyl-2-piperidin-1-ylpyridine;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol;bis(1,3,4,5-tetramethylpyrazole);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;bis(3,4,5-trimethyl-1H-pyrazole);bis(2-(3,4,5-trimethylpyrazol-1-yl)ethanol);bis(1,3,4-trimethyl-5-(trifluoromethyl)pyrazole)?
2-chloro-4-methylpyridine;3,5-dimethyl-2H-indazole;4,5-dimethyl-1H-pyrazole;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);2-[3,4-dimethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol;3-methyl-1H-imidazol-3-ium;5-methyl-2-piperidin-1-ylpyridine;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol;bis(1,3,4,5-tetramethylpyrazole);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;bis(3,4,5-trimethyl-1H-pyrazole);bis(2-(3,4,5-trimethylpyrazol-1-yl)ethanol);bis(1,3,4-trimethyl-5-(trifluoromethyl)pyrazole) has a molecular weight of 3753.65 g/mol, XLogP of 37.50, 12 rotatable bonds, 14 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methylpyridine;3,5-dimethyl-2H-indazole;4,5-dimethyl-1H-pyrazole;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);2-[3,4-dimethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol;3-methyl-1H-imidazol-3-ium;5-methyl-2-piperidin-1-ylpyridine;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol;bis(1,3,4,5-tetramethylpyrazole);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;bis(3,4,5-trimethyl-1H-pyrazole);bis(2-(3,4,5-trimethylpyrazol-1-yl)ethanol);bis(1,3,4-trimethyl-5-(trifluoromethyl)pyrazole) is sourced from PubChem (CID 160764434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).