2-(3,4-dimethylpyrazol-1-yl)ethanol;2-(4,5-dimethylpyrazol-1-yl)ethanol;4-[2-(3,4-dimethylpyrazol-1-yl)ethyl]morpholine;4-[2-(4,5-dimethylpyrazol-1-yl)ethyl]morpholine;4-(3,4-dimethylpyrazol-1-yl)-1-methylpiperidine;4-(4,5-dimethylpyrazol-1-yl)-1-methylpiperidine;4-(3,4-dimethylpyrazol-1-yl)piperidine;1-(3,4-dimethylpyrazol-1-yl)-4,4,4-trifluorobutan-2-ol;1-(4,5-dimethylpyrazol-1-yl)-4,4,4-trifluorobutan-2-ol;3,5-dimethylpyridine;1,5-dimethyl-3H-pyrrolo[2,3-b]pyridin-2-one;N-ethyl-3,5-dimethylpyridine-2-carboxamide;2-(1-isocyanocyclobutyl)-5-methylpyridine;1-[(1-isocyanocyclopropyl)methyl]-3,4-dimethylpyrazole;1-[(1-isocyanocyclopropyl)methyl]-4,5-dimethylpyrazole;1-(2-methoxyethyl)-3,4-dimethylpyrazole;3-methyl-4-methyliminobut-2-en-2-amine;2-methyl-3-methyliminoprop-1-en-1-amine;5-methyl-2-(1-methylpiperidin-4-yl)pyridine;3-methylpyridine

C180H275F6N45O9 — CID 160707948

IUPAC2-(3,4-dimethylpyrazol-1-yl)ethanol;2-(4,5-dimethylpyrazol-1-yl)ethanol;4-[2-(3,4-dimethylpyrazol-1-yl)ethyl]morpholine;4-[2-(4,5-dimethylpyrazol-1-yl)ethyl]morpholine;4-(3,4-dimethylpyrazol-1-yl)-1-methylpiperidine;4-(4,5-dimethylpyrazol-1-yl)-1-methylpiperidine;4-(3,4-dimethylpyrazol-1-yl)piperidine;1-(3,4-dimethylpyrazol-1-yl)-4,4,4-trifluorobutan-2-ol;1-(4,5-dimethylpyrazol-1-yl)-4,4,4-trifluorobutan-2-ol;3,5-dimethylpyridine;1,5-dimethyl-3H-pyrrolo[2,3-b]pyridin-2-one;N-ethyl-3,5-dimethylpyridine-2-carboxamide;2-(1-isocyanocyclobutyl)-5-methylpyridine;1-[(1-isocyanocyclopropyl)methyl]-3,4-dimethylpyrazole;1-[(1-isocyanocyclopropyl)methyl]-4,5-dimethylpyrazole;1-(2-methoxyethyl)-3,4-dimethylpyrazole;3-methyl-4-methyliminobut-2-en-2-amine;2-methyl-3-methyliminoprop-1-en-1-amine;5-methyl-2-(1-methylpiperidin-4-yl)pyridine;3-methylpyridine
SMILESC/N=C/C(C)=C(C)N.C/N=C/C(C)=CN.CCNC(=O)c1ncc(C)cc1C.COCCn1cc(C)c(C)n1.Cc1ccc(C2CCN(C)CC2)nc1.Cc1cccnc1.Cc1cn(C2CCN(C)CC2)nc1C.Cc1cn(C2CCNCC2)nc1C.Cc1cn(CC(O)CC(F)(F)F)nc1C.Cc1cn(CCN2CCOCC2)nc1C.Cc1cn(CCO)nc1C.Cc1cnc2c(c1)CC(=O)N2C.Cc1cncc(C)c1.Cc1cnn(C2CCN(C)CC2)c1C.Cc1cnn(CC(O)CC(F)(F)F)c1C.Cc1cnn(CCN2CCOCC2)c1C.Cc1cnn(CCO)c1C.[C-]#[N+]C1(Cn2cc(C)c(C)n2)CC1.[C-]#[N+]C1(Cn2ncc(C)c2C)CC1.[C-]#[N+]C1(c2ccc(C)cn2)CCC1
InChIInChI=1S/C12H18N2.2C11H19N3O.2C11H19N3.C11H12N2.2C10H13N3.C10H17N3.C10H14N2O.2C9H13F3N2O.C9H10N2O.C8H14N2O.2C7H12N2O.C7H9N.C6H12N2.C6H7N.C5H10N2/c1-10-3-4-12(13-9-10)11-5-7-14(2)8-6-11;1-10-9-14(12-11(10)2)4-3-13-5-7-15-8-6-13;1-10-9-12-14(11(10)2)4-3-13-5-7-15-8-6-13;1-9-8-14(12-10(9)2)11-4-6-13(3)7-5-11;1-9-8-12-14(10(9)2)11-4-6-13(3)7-5-11;1-9-4-5-10(13-8-9)11(12-2)6-3-7-11;1-8-6-13(12-9(8)2)7-10(11-3)4-5-10;1-8-6-12-13(9(8)2)7-10(11-3)4-5-10;1-8-7-13(12-9(8)2)10-3-5-11-6-4-10;1-4-11-10(13)9-8(3)5-7(2)6-12-9;1-6-4-14(13-7(6)2)5-8(15)3-9(10,11)12;1-6-4-13-14(7(6)2)5-8(15)3-9(10,11)12;1-6-3-7-4-8(12)11(2)9(7)10-5-6;1-7-6-10(4-5-11-3)9-8(7)2;1-6-5-9(3-4-10)8-7(6)2;1-6-5-8-9(3-4-10)7(6)2;1-6-3-7(2)5-8-4-6;1-5(4-8-3)6(2)7;1-6-3-2-4-7-5-6;1-5(3-6)4-7-2/h3-4,9,11H,5-8H2,1-2H3;2*9H,3-8H2,1-2H3;2*8,11H,4-7H2,1-3H3;4-5,8H,3,6-7H2,1H3;2*6H,4-5,7H2,1-2H3;7,10-11H,3-6H2,1-2H3;5-6H,4H2,1-3H3,(H,11,13);2*4,8,15H,3,5H2,1-2H3;3,5H,4H2,1-2H3;6H,4-5H2,1-3H3;2*5,10H,3-4H2,1-2H3;3-5H,1-2H3;4H,7H2,1-3H3;2-5H,1H3;3-4H,6H2,1-2H3/b;;;;;;;;;;;;;;;;;6-5?,8-4+;;5-3?,7-4+
InChIKeyFGICORLHZNYQQE-AQRCPXBQSA-N
MW3327.47 g/mol
LogP28.11
Rot. Bonds32

About 2-(3,4-dimethylpyrazol-1-yl)ethanol;2-(4,5-dimethylpyrazol-1-yl)ethanol;4-[2-(3,4-dimethylpyrazol-1-yl)ethyl]morpholine;4-[2-(4,5-dimethylpyrazol-1-yl)ethyl]morpholine;4-(3,4-dimethylpyrazol-1-yl)-1-methylpiperidine;4-(4,5-dimethylpyrazol-1-yl)-1-methylpiperidine;4-(3,4-dimethylpyrazol-1-yl)piperidine;1-(3,4-dimethylpyrazol-1-yl)-4,4,4-trifluorobutan-2-ol;1-(4,5-dimethylpyrazol-1-yl)-4,4,4-trifluorobutan-2-ol;3,5-dimethylpyridine;1,5-dimethyl-3H-pyrrolo[2,3-b]pyridin-2-one;N-ethyl-3,5-dimethylpyridine-2-carboxamide;2-(1-isocyanocyclobutyl)-5-methylpyridine;1-[(1-isocyanocyclopropyl)methyl]-3,4-dimethylpyrazole;1-[(1-isocyanocyclopropyl)methyl]-4,5-dimethylpyrazole;1-(2-methoxyethyl)-3,4-dimethylpyrazole;3-methyl-4-methyliminobut-2-en-2-amine;2-methyl-3-methyliminoprop-1-en-1-amine;5-methyl-2-(1-methylpiperidin-4-yl)pyridine;3-methylpyridine

2-(3,4-dimethylpyrazol-1-yl)ethanol;2-(4,5-dimethylpyrazol-1-yl)ethanol;4-[2-(3,4-dimethylpyrazol-1-yl)ethyl]morpholine;4-[2-(4,5-dimethylpyrazol-1-yl)ethyl]morpholine;4-(3,4-dimethylpyrazol-1-yl)-1-methylpiperidine;4-(4,5-dimethylpyrazol-1-yl)-1-methylpiperidine;4-(3,4-dimethylpyrazol-1-yl)piperidine;1-(3,4-dimethylpyrazol-1-yl)-4,4,4-trifluorobutan-2-ol;1-(4,5-dimethylpyrazol-1-yl)-4,4,4-trifluorobutan-2-ol;3,5-dimethylpyridine;1,5-dimethyl-3H-pyrrolo[2,3-b]pyridin-2-one;N-ethyl-3,5-dimethylpyridine-2-carboxamide;2-(1-isocyanocyclobutyl)-5-methylpyridine;1-[(1-isocyanocyclopropyl)methyl]-3,4-dimethylpyrazole;1-[(1-isocyanocyclopropyl)methyl]-4,5-dimethylpyrazole;1-(2-methoxyethyl)-3,4-dimethylpyrazole;3-methyl-4-methyliminobut-2-en-2-amine;2-methyl-3-methyliminoprop-1-en-1-amine;5-methyl-2-(1-methylpiperidin-4-yl)pyridine;3-methylpyridine (PubChem CID 160707948) has the molecular formula C180H275F6N45O9 and a molecular weight of 3327.47 g/mol. Its IUPAC name is 2-(3,4-dimethylpyrazol-1-yl)ethanol;2-(4,5-dimethylpyrazol-1-yl)ethanol;4-[2-(3,4-dimethylpyrazol-1-yl)ethyl]morpholine;4-[2-(4,5-dimethylpyrazol-1-yl)ethyl]morpholine;4-(3,4-dimethylpyrazol-1-yl)-1-methylpiperidine;4-(4,5-dimethylpyrazol-1-yl)-1-methylpiperidine;4-(3,4-dimethylpyrazol-1-yl)piperidine;1-(3,4-dimethylpyrazol-1-yl)-4,4,4-trifluorobutan-2-ol;1-(4,5-dimethylpyrazol-1-yl)-4,4,4-trifluorobutan-2-ol;3,5-dimethylpyridine;1,5-dimethyl-3H-pyrrolo[2,3-b]pyridin-2-one;N-ethyl-3,5-dimethylpyridine-2-carboxamide;2-(1-isocyanocyclobutyl)-5-methylpyridine;1-[(1-isocyanocyclopropyl)methyl]-3,4-dimethylpyrazole;1-[(1-isocyanocyclopropyl)methyl]-4,5-dimethylpyrazole;1-(2-methoxyethyl)-3,4-dimethylpyrazole;3-methyl-4-methyliminobut-2-en-2-amine;2-methyl-3-methyliminoprop-1-en-1-amine;5-methyl-2-(1-methylpiperidin-4-yl)pyridine;3-methylpyridine.

Molecular Properties

Compound Name2-(3,4-dimethylpyrazol-1-yl)ethanol;2-(4,5-dimethylpyrazol-1-yl)ethanol;4-[2-(3,4-dimethylpyrazol-1-yl)ethyl]morpholine;4-[2-(4,5-dimethylpyrazol-1-yl)ethyl]morpholine;4-(3,4-dimethylpyrazol-1-yl)-1-methylpiperidine;4-(4,5-dimethylpyrazol-1-yl)-1-methylpiperidine;4-(3,4-dimethylpyrazol-1-yl)piperidine;1-(3,4-dimethylpyrazol-1-yl)-4,4,4-trifluorobutan-2-ol;1-(4,5-dimethylpyrazol-1-yl)-4,4,4-trifluorobutan-2-ol;3,5-dimethylpyridine;1,5-dimethyl-3H-pyrrolo[2,3-b]pyridin-2-one;N-ethyl-3,5-dimethylpyridine-2-carboxamide;2-(1-isocyanocyclobutyl)-5-methylpyridine;1-[(1-isocyanocyclopropyl)methyl]-3,4-dimethylpyrazole;1-[(1-isocyanocyclopropyl)methyl]-4,5-dimethylpyrazole;1-(2-methoxyethyl)-3,4-dimethylpyrazole;3-methyl-4-methyliminobut-2-en-2-amine;2-methyl-3-methyliminoprop-1-en-1-amine;5-methyl-2-(1-methylpiperidin-4-yl)pyridine;3-methylpyridine
PubChem CID160707948
Molecular FormulaC180H275F6N45O9
Molecular Weight3327.47 g/mol
Exact Mass3325.23
IUPAC Name2-(3,4-dimethylpyrazol-1-yl)ethanol;2-(4,5-dimethylpyrazol-1-yl)ethanol;4-[2-(3,4-dimethylpyrazol-1-yl)ethyl]morpholine;4-[2-(4,5-dimethylpyrazol-1-yl)ethyl]morpholine;4-(3,4-dimethylpyrazol-1-yl)-1-methylpiperidine;4-(4,5-dimethylpyrazol-1-yl)-1-methylpiperidine;4-(3,4-dimethylpyrazol-1-yl)piperidine;1-(3,4-dimethylpyrazol-1-yl)-4,4,4-trifluorobutan-2-ol;1-(4,5-dimethylpyrazol-1-yl)-4,4,4-trifluorobutan-2-ol;3,5-dimethylpyridine;1,5-dimethyl-3H-pyrrolo[2,3-b]pyridin-2-one;N-ethyl-3,5-dimethylpyridine-2-carboxamide;2-(1-isocyanocyclobutyl)-5-methylpyridine;1-[(1-isocyanocyclopropyl)methyl]-3,4-dimethylpyrazole;1-[(1-isocyanocyclopropyl)methyl]-4,5-dimethylpyrazole;1-(2-methoxyethyl)-3,4-dimethylpyrazole;3-methyl-4-methyliminobut-2-en-2-amine;2-methyl-3-methyliminoprop-1-en-1-amine;5-methyl-2-(1-methylpiperidin-4-yl)pyridine;3-methylpyridine
SMILESC/N=C/C(C)=C(C)N.C/N=C/C(C)=CN.CCNC(=O)c1ncc(C)cc1C.COCCn1cc(C)c(C)n1.Cc1ccc(C2CCN(C)CC2)nc1.Cc1cccnc1.Cc1cn(C2CCN(C)CC2)nc1C.Cc1cn(C2CCNCC2)nc1C.Cc1cn(CC(O)CC(F)(F)F)nc1C.Cc1cn(CCN2CCOCC2)nc1C.Cc1cn(CCO)nc1C.Cc1cnc2c(c1)CC(=O)N2C.Cc1cncc(C)c1.Cc1cnn(C2CCN(C)CC2)c1C.Cc1cnn(CC(O)CC(F)(F)F)c1C.Cc1cnn(CCN2CCOCC2)c1C.Cc1cnn(CCO)c1C.[C-]#[N+]C1(Cn2cc(C)c(C)n2)CC1.[C-]#[N+]C1(Cn2ncc(C)c2C)CC1.[C-]#[N+]C1(c2ccc(C)cn2)CCC1
InChIInChI=1S/C12H18N2.2C11H19N3O.2C11H19N3.C11H12N2.2C10H13N3.C10H17N3.C10H14N2O.2C9H13F3N2O.C9H10N2O.C8H14N2O.2C7H12N2O.C7H9N.C6H12N2.C6H7N.C5H10N2/c1-10-3-4-12(13-9-10)11-5-7-14(2)8-6-11;1-10-9-14(12-11(10)2)4-3-13-5-7-15-8-6-13;1-10-9-12-14(11(10)2)4-3-13-5-7-15-8-6-13;1-9-8-14(12-10(9)2)11-4-6-13(3)7-5-11;1-9-8-12-14(10(9)2)11-4-6-13(3)7-5-11;1-9-4-5-10(13-8-9)11(12-2)6-3-7-11;1-8-6-13(12-9(8)2)7-10(11-3)4-5-10;1-8-6-12-13(9(8)2)7-10(11-3)4-5-10;1-8-7-13(12-9(8)2)10-3-5-11-6-4-10;1-4-11-10(13)9-8(3)5-7(2)6-12-9;1-6-4-14(13-7(6)2)5-8(15)3-9(10,11)12;1-6-4-13-14(7(6)2)5-8(15)3-9(10,11)12;1-6-3-7-4-8(12)11(2)9(7)10-5-6;1-7-6-10(4-5-11-3)9-8(7)2;1-6-5-9(3-4-10)8-7(6)2;1-6-5-8-9(3-4-10)7(6)2;1-6-3-7(2)5-8-4-6;1-5(4-8-3)6(2)7;1-6-3-2-4-7-5-6;1-5(3-6)4-7-2/h3-4,9,11H,5-8H2,1-2H3;2*9H,3-8H2,1-2H3;2*8,11H,4-7H2,1-3H3;4-5,8H,3,6-7H2,1H3;2*6H,4-5,7H2,1-2H3;7,10-11H,3-6H2,1-2H3;5-6H,4H2,1-3H3,(H,11,13);2*4,8,15H,3,5H2,1-2H3;3,5H,4H2,1-2H3;6H,4-5H2,1-3H3;2*5,10H,3-4H2,1-2H3;3-5H,1-2H3;4H,7H2,1-3H3;2-5H,1H3;3-4H,6H2,1-2H3/b;;;;;;;;;;;;;;;;;6-5?,8-4+;;5-3?,7-4+
InChIKeyFGICORLHZNYQQE-AQRCPXBQSA-N
XLogP28.11
TPSA567.27 Ų
H-Bond Donors8
H-Bond Acceptors49
Rotatable Bonds32
Heavy Atoms240
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003327.47
LogP ≤ 528.11
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1049

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-(3,4-dimethylpyrazol-1-yl)ethanol;2-(4,5-dimethylpyrazol-1-yl)ethanol;4-[2-(3,4-dimethylpyrazol-1-yl)ethyl]morpholine;4-[2-(4,5-dimethylpyrazol-1-yl)ethyl]morpholine;4-(3,4-dimethylpyrazol-1-yl)-1-methylpiperidine;4-(4,5-dimethylpyrazol-1-yl)-1-methylpiperidine;4-(3,4-dimethylpyrazol-1-yl)piperidine;1-(3,4-dimethylpyrazol-1-yl)-4,4,4-trifluorobutan-2-ol;1-(4,5-dimethylpyrazol-1-yl)-4,4,4-trifluorobutan-2-ol;3,5-dimethylpyridine;1,5-dimethyl-3H-pyrrolo[2,3-b]pyridin-2-one;N-ethyl-3,5-dimethylpyridine-2-carboxamide;2-(1-isocyanocyclobutyl)-5-methylpyridine;1-[(1-isocyanocyclopropyl)methyl]-3,4-dimethylpyrazole;1-[(1-isocyanocyclopropyl)methyl]-4,5-dimethylpyrazole;1-(2-methoxyethyl)-3,4-dimethylpyrazole;3-methyl-4-methyliminobut-2-en-2-amine;2-methyl-3-methyliminoprop-1-en-1-amine;5-methyl-2-(1-methylpiperidin-4-yl)pyridine;3-methylpyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylpyrazol-1-yl)ethanol;2-(4,5-dimethylpyrazol-1-yl)ethanol;4-[2-(3,4-dimethylpyrazol-1-yl)ethyl]morpholine;4-[2-(4,5-dimethylpyrazol-1-yl)ethyl]morpholine;4-(3,4-dimethylpyrazol-1-yl)-1-methylpiperidine;4-(4,5-dimethylpyrazol-1-yl)-1-methylpiperidine;4-(3,4-dimethylpyrazol-1-yl)piperidine;1-(3,4-dimethylpyrazol-1-yl)-4,4,4-trifluorobutan-2-ol;1-(4,5-dimethylpyrazol-1-yl)-4,4,4-trifluorobutan-2-ol;3,5-dimethylpyridine;1,5-dimethyl-3H-pyrrolo[2,3-b]pyridin-2-one;N-ethyl-3,5-dimethylpyridine-2-carboxamide;2-(1-isocyanocyclobutyl)-5-methylpyridine;1-[(1-isocyanocyclopropyl)methyl]-3,4-dimethylpyrazole;1-[(1-isocyanocyclopropyl)methyl]-4,5-dimethylpyrazole;1-(2-methoxyethyl)-3,4-dimethylpyrazole;3-methyl-4-methyliminobut-2-en-2-amine;2-methyl-3-methyliminoprop-1-en-1-amine;5-methyl-2-(1-methylpiperidin-4-yl)pyridine;3-methylpyridine?
The IUPAC name of 2-(3,4-dimethylpyrazol-1-yl)ethanol;2-(4,5-dimethylpyrazol-1-yl)ethanol;4-[2-(3,4-dimethylpyrazol-1-yl)ethyl]morpholine;4-[2-(4,5-dimethylpyrazol-1-yl)ethyl]morpholine;4-(3,4-dimethylpyrazol-1-yl)-1-methylpiperidine;4-(4,5-dimethylpyrazol-1-yl)-1-methylpiperidine;4-(3,4-dimethylpyrazol-1-yl)piperidine;1-(3,4-dimethylpyrazol-1-yl)-4,4,4-trifluorobutan-2-ol;1-(4,5-dimethylpyrazol-1-yl)-4,4,4-trifluorobutan-2-ol;3,5-dimethylpyridine;1,5-dimethyl-3H-pyrrolo[2,3-b]pyridin-2-one;N-ethyl-3,5-dimethylpyridine-2-carboxamide;2-(1-isocyanocyclobutyl)-5-methylpyridine;1-[(1-isocyanocyclopropyl)methyl]-3,4-dimethylpyrazole;1-[(1-isocyanocyclopropyl)methyl]-4,5-dimethylpyrazole;1-(2-methoxyethyl)-3,4-dimethylpyrazole;3-methyl-4-methyliminobut-2-en-2-amine;2-methyl-3-methyliminoprop-1-en-1-amine;5-methyl-2-(1-methylpiperidin-4-yl)pyridine;3-methylpyridine (CID 160707948) is 2-(3,4-dimethylpyrazol-1-yl)ethanol;2-(4,5-dimethylpyrazol-1-yl)ethanol;4-[2-(3,4-dimethylpyrazol-1-yl)ethyl]morpholine;4-[2-(4,5-dimethylpyrazol-1-yl)ethyl]morpholine;4-(3,4-dimethylpyrazol-1-yl)-1-methylpiperidine;4-(4,5-dimethylpyrazol-1-yl)-1-methylpiperidine;4-(3,4-dimethylpyrazol-1-yl)piperidine;1-(3,4-dimethylpyrazol-1-yl)-4,4,4-trifluorobutan-2-ol;1-(4,5-dimethylpyrazol-1-yl)-4,4,4-trifluorobutan-2-ol;3,5-dimethylpyridine;1,5-dimethyl-3H-pyrrolo[2,3-b]pyridin-2-one;N-ethyl-3,5-dimethylpyridine-2-carboxamide;2-(1-isocyanocyclobutyl)-5-methylpyridine;1-[(1-isocyanocyclopropyl)methyl]-3,4-dimethylpyrazole;1-[(1-isocyanocyclopropyl)methyl]-4,5-dimethylpyrazole;1-(2-methoxyethyl)-3,4-dimethylpyrazole;3-methyl-4-methyliminobut-2-en-2-amine;2-methyl-3-methyliminoprop-1-en-1-amine;5-methyl-2-(1-methylpiperidin-4-yl)pyridine;3-methylpyridine.
What is the SMILES notation for 2-(3,4-dimethylpyrazol-1-yl)ethanol;2-(4,5-dimethylpyrazol-1-yl)ethanol;4-[2-(3,4-dimethylpyrazol-1-yl)ethyl]morpholine;4-[2-(4,5-dimethylpyrazol-1-yl)ethyl]morpholine;4-(3,4-dimethylpyrazol-1-yl)-1-methylpiperidine;4-(4,5-dimethylpyrazol-1-yl)-1-methylpiperidine;4-(3,4-dimethylpyrazol-1-yl)piperidine;1-(3,4-dimethylpyrazol-1-yl)-4,4,4-trifluorobutan-2-ol;1-(4,5-dimethylpyrazol-1-yl)-4,4,4-trifluorobutan-2-ol;3,5-dimethylpyridine;1,5-dimethyl-3H-pyrrolo[2,3-b]pyridin-2-one;N-ethyl-3,5-dimethylpyridine-2-carboxamide;2-(1-isocyanocyclobutyl)-5-methylpyridine;1-[(1-isocyanocyclopropyl)methyl]-3,4-dimethylpyrazole;1-[(1-isocyanocyclopropyl)methyl]-4,5-dimethylpyrazole;1-(2-methoxyethyl)-3,4-dimethylpyrazole;3-methyl-4-methyliminobut-2-en-2-amine;2-methyl-3-methyliminoprop-1-en-1-amine;5-methyl-2-(1-methylpiperidin-4-yl)pyridine;3-methylpyridine?
The canonical SMILES for 2-(3,4-dimethylpyrazol-1-yl)ethanol;2-(4,5-dimethylpyrazol-1-yl)ethanol;4-[2-(3,4-dimethylpyrazol-1-yl)ethyl]morpholine;4-[2-(4,5-dimethylpyrazol-1-yl)ethyl]morpholine;4-(3,4-dimethylpyrazol-1-yl)-1-methylpiperidine;4-(4,5-dimethylpyrazol-1-yl)-1-methylpiperidine;4-(3,4-dimethylpyrazol-1-yl)piperidine;1-(3,4-dimethylpyrazol-1-yl)-4,4,4-trifluorobutan-2-ol;1-(4,5-dimethylpyrazol-1-yl)-4,4,4-trifluorobutan-2-ol;3,5-dimethylpyridine;1,5-dimethyl-3H-pyrrolo[2,3-b]pyridin-2-one;N-ethyl-3,5-dimethylpyridine-2-carboxamide;2-(1-isocyanocyclobutyl)-5-methylpyridine;1-[(1-isocyanocyclopropyl)methyl]-3,4-dimethylpyrazole;1-[(1-isocyanocyclopropyl)methyl]-4,5-dimethylpyrazole;1-(2-methoxyethyl)-3,4-dimethylpyrazole;3-methyl-4-methyliminobut-2-en-2-amine;2-methyl-3-methyliminoprop-1-en-1-amine;5-methyl-2-(1-methylpiperidin-4-yl)pyridine;3-methylpyridine is C/N=C/C(C)=C(C)N.C/N=C/C(C)=CN.CCNC(=O)c1ncc(C)cc1C.COCCn1cc(C)c(C)n1.Cc1ccc(C2CCN(C)CC2)nc1.Cc1cccnc1.Cc1cn(C2CCN(C)CC2)nc1C.Cc1cn(C2CCNCC2)nc1C.Cc1cn(CC(O)CC(F)(F)F)nc1C.Cc1cn(CCN2CCOCC2)nc1C.Cc1cn(CCO)nc1C.Cc1cnc2c(c1)CC(=O)N2C.Cc1cncc(C)c1.Cc1cnn(C2CCN(C)CC2)c1C.Cc1cnn(CC(O)CC(F)(F)F)c1C.Cc1cnn(CCN2CCOCC2)c1C.Cc1cnn(CCO)c1C.[C-]#[N+]C1(Cn2cc(C)c(C)n2)CC1.[C-]#[N+]C1(Cn2ncc(C)c2C)CC1.[C-]#[N+]C1(c2ccc(C)cn2)CCC1.
What is the InChIKey of 2-(3,4-dimethylpyrazol-1-yl)ethanol;2-(4,5-dimethylpyrazol-1-yl)ethanol;4-[2-(3,4-dimethylpyrazol-1-yl)ethyl]morpholine;4-[2-(4,5-dimethylpyrazol-1-yl)ethyl]morpholine;4-(3,4-dimethylpyrazol-1-yl)-1-methylpiperidine;4-(4,5-dimethylpyrazol-1-yl)-1-methylpiperidine;4-(3,4-dimethylpyrazol-1-yl)piperidine;1-(3,4-dimethylpyrazol-1-yl)-4,4,4-trifluorobutan-2-ol;1-(4,5-dimethylpyrazol-1-yl)-4,4,4-trifluorobutan-2-ol;3,5-dimethylpyridine;1,5-dimethyl-3H-pyrrolo[2,3-b]pyridin-2-one;N-ethyl-3,5-dimethylpyridine-2-carboxamide;2-(1-isocyanocyclobutyl)-5-methylpyridine;1-[(1-isocyanocyclopropyl)methyl]-3,4-dimethylpyrazole;1-[(1-isocyanocyclopropyl)methyl]-4,5-dimethylpyrazole;1-(2-methoxyethyl)-3,4-dimethylpyrazole;3-methyl-4-methyliminobut-2-en-2-amine;2-methyl-3-methyliminoprop-1-en-1-amine;5-methyl-2-(1-methylpiperidin-4-yl)pyridine;3-methylpyridine?
The InChIKey is FGICORLHZNYQQE-AQRCPXBQSA-N. The full InChI is InChI=1S/C12H18N2.2C11H19N3O.2C11H19N3.C11H12N2.2C10H13N3.C10H17N3.C10H14N2O.2C9H13F3N2O.C9H10N2O.C8H14N2O.2C7H12N2O.C7H9N.C6H12N2.C6H7N.C5H10N2/c1-10-3-4-12(13-9-10)11-5-7-14(2)8-6-11;1-10-9-14(12-11(10)2)4-3-13-5-7-15-8-6-13;1-10-9-12-14(11(10)2)4-3-13-5-7-15-8-6-13;1-9-8-14(12-10(9)2)11-4-6-13(3)7-5-11;1-9-8-12-14(10(9)2)11-4-6-13(3)7-5-11;1-9-4-5-10(13-8-9)11(12-2)6-3-7-11;1-8-6-13(12-9(8)2)7-10(11-3)4-5-10;1-8-6-12-13(9(8)2)7-10(11-3)4-5-10;1-8-7-13(12-9(8)2)10-3-5-11-6-4-10;1-4-11-10(13)9-8(3)5-7(2)6-12-9;1-6-4-14(13-7(6)2)5-8(15)3-9(10,11)12;1-6-4-13-14(7(6)2)5-8(15)3-9(10,11)12;1-6-3-7-4-8(12)11(2)9(7)10-5-6;1-7-6-10(4-5-11-3)9-8(7)2;1-6-5-9(3-4-10)8-7(6)2;1-6-5-8-9(3-4-10)7(6)2;1-6-3-7(2)5-8-4-6;1-5(4-8-3)6(2)7;1-6-3-2-4-7-5-6;1-5(3-6)4-7-2/h3-4,9,11H,5-8H2,1-2H3;2*9H,3-8H2,1-2H3;2*8,11H,4-7H2,1-3H3;4-5,8H,3,6-7H2,1H3;2*6H,4-5,7H2,1-2H3;7,10-11H,3-6H2,1-2H3;5-6H,4H2,1-3H3,(H,11,13);2*4,8,15H,3,5H2,1-2H3;3,5H,4H2,1-2H3;6H,4-5H2,1-3H3;2*5,10H,3-4H2,1-2H3;3-5H,1-2H3;4H,7H2,1-3H3;2-5H,1H3;3-4H,6H2,1-2H3/b;;;;;;;;;;;;;;;;;6-5?,8-4+;;5-3?,7-4+.
What are the key properties of 2-(3,4-dimethylpyrazol-1-yl)ethanol;2-(4,5-dimethylpyrazol-1-yl)ethanol;4-[2-(3,4-dimethylpyrazol-1-yl)ethyl]morpholine;4-[2-(4,5-dimethylpyrazol-1-yl)ethyl]morpholine;4-(3,4-dimethylpyrazol-1-yl)-1-methylpiperidine;4-(4,5-dimethylpyrazol-1-yl)-1-methylpiperidine;4-(3,4-dimethylpyrazol-1-yl)piperidine;1-(3,4-dimethylpyrazol-1-yl)-4,4,4-trifluorobutan-2-ol;1-(4,5-dimethylpyrazol-1-yl)-4,4,4-trifluorobutan-2-ol;3,5-dimethylpyridine;1,5-dimethyl-3H-pyrrolo[2,3-b]pyridin-2-one;N-ethyl-3,5-dimethylpyridine-2-carboxamide;2-(1-isocyanocyclobutyl)-5-methylpyridine;1-[(1-isocyanocyclopropyl)methyl]-3,4-dimethylpyrazole;1-[(1-isocyanocyclopropyl)methyl]-4,5-dimethylpyrazole;1-(2-methoxyethyl)-3,4-dimethylpyrazole;3-methyl-4-methyliminobut-2-en-2-amine;2-methyl-3-methyliminoprop-1-en-1-amine;5-methyl-2-(1-methylpiperidin-4-yl)pyridine;3-methylpyridine?
2-(3,4-dimethylpyrazol-1-yl)ethanol;2-(4,5-dimethylpyrazol-1-yl)ethanol;4-[2-(3,4-dimethylpyrazol-1-yl)ethyl]morpholine;4-[2-(4,5-dimethylpyrazol-1-yl)ethyl]morpholine;4-(3,4-dimethylpyrazol-1-yl)-1-methylpiperidine;4-(4,5-dimethylpyrazol-1-yl)-1-methylpiperidine;4-(3,4-dimethylpyrazol-1-yl)piperidine;1-(3,4-dimethylpyrazol-1-yl)-4,4,4-trifluorobutan-2-ol;1-(4,5-dimethylpyrazol-1-yl)-4,4,4-trifluorobutan-2-ol;3,5-dimethylpyridine;1,5-dimethyl-3H-pyrrolo[2,3-b]pyridin-2-one;N-ethyl-3,5-dimethylpyridine-2-carboxamide;2-(1-isocyanocyclobutyl)-5-methylpyridine;1-[(1-isocyanocyclopropyl)methyl]-3,4-dimethylpyrazole;1-[(1-isocyanocyclopropyl)methyl]-4,5-dimethylpyrazole;1-(2-methoxyethyl)-3,4-dimethylpyrazole;3-methyl-4-methyliminobut-2-en-2-amine;2-methyl-3-methyliminoprop-1-en-1-amine;5-methyl-2-(1-methylpiperidin-4-yl)pyridine;3-methylpyridine has a molecular weight of 3327.47 g/mol, XLogP of 28.11, 32 rotatable bonds, 8 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylpyrazol-1-yl)ethanol;2-(4,5-dimethylpyrazol-1-yl)ethanol;4-[2-(3,4-dimethylpyrazol-1-yl)ethyl]morpholine;4-[2-(4,5-dimethylpyrazol-1-yl)ethyl]morpholine;4-(3,4-dimethylpyrazol-1-yl)-1-methylpiperidine;4-(4,5-dimethylpyrazol-1-yl)-1-methylpiperidine;4-(3,4-dimethylpyrazol-1-yl)piperidine;1-(3,4-dimethylpyrazol-1-yl)-4,4,4-trifluorobutan-2-ol;1-(4,5-dimethylpyrazol-1-yl)-4,4,4-trifluorobutan-2-ol;3,5-dimethylpyridine;1,5-dimethyl-3H-pyrrolo[2,3-b]pyridin-2-one;N-ethyl-3,5-dimethylpyridine-2-carboxamide;2-(1-isocyanocyclobutyl)-5-methylpyridine;1-[(1-isocyanocyclopropyl)methyl]-3,4-dimethylpyrazole;1-[(1-isocyanocyclopropyl)methyl]-4,5-dimethylpyrazole;1-(2-methoxyethyl)-3,4-dimethylpyrazole;3-methyl-4-methyliminobut-2-en-2-amine;2-methyl-3-methyliminoprop-1-en-1-amine;5-methyl-2-(1-methylpiperidin-4-yl)pyridine;3-methylpyridine is sourced from PubChem (CID 160707948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).