(1R,2S)-2-(dimethylamino)-4-methyl-1-(1H-pyrazol-4-yl)pentan-1-ol;3,5-dimethyl-1-(3-methylbutyl)pyrazole;5-methyl-1-(3-methylbutyl)pyrazole;1-methyl-2-(4-methylpentyl)imidazole;1-methyl-2-(4-methylpentyl)pyrrole;1-methyl-3-(4-methylpentyl)pyrrole;2-methyl-3-(4-methylpentyl)-1H-pyrrole;1-(4-methylpentan-2-yl)-1,2,4-triazole;2-(4-methylpentyl)-1H-imidazole;5-(4-methylpentyl)-1H-pyrazole;bis(2-(4-methylpentyl)pyridine);4-[(1S,2S)-2-(2-methylpropyl)cyclopropyl]-1H-pyrazole;2-(2-methylpropyl)furan;(1R,2S)-4-methyl-1-(1H-pyrazol-4-yl)pentane-1,2-diol;4-methyl-1-(1H-pyrazol-4-yl)pentan-2-ol

C157H271N27O5 — CID 158721463

IUPAC(1R,2S)-2-(dimethylamino)-4-methyl-1-(1H-pyrazol-4-yl)pentan-1-ol;3,5-dimethyl-1-(3-methylbutyl)pyrazole;5-methyl-1-(3-methylbutyl)pyrazole;1-methyl-2-(4-methylpentyl)imidazole;1-methyl-2-(4-methylpentyl)pyrrole;1-methyl-3-(4-methylpentyl)pyrrole;2-methyl-3-(4-methylpentyl)-1H-pyrrole;1-(4-methylpentan-2-yl)-1,2,4-triazole;2-(4-methylpentyl)-1H-imidazole;5-(4-methylpentyl)-1H-pyrazole;bis(2-(4-methylpentyl)pyridine);4-[(1S,2S)-2-(2-methylpropyl)cyclopropyl]-1H-pyrazole;2-(2-methylpropyl)furan;(1R,2S)-4-methyl-1-(1H-pyrazol-4-yl)pentane-1,2-diol;4-methyl-1-(1H-pyrazol-4-yl)pentan-2-ol
SMILESCC(C)CC(C)n1cncn1.CC(C)CC(O)Cc1cn[nH]c1.CC(C)CCCc1ccccn1.CC(C)CCCc1ccccn1.CC(C)CCCc1cccn1C.CC(C)CCCc1ccn(C)c1.CC(C)CCCc1ccn[nH]1.CC(C)CCCc1ncc[nH]1.CC(C)CCCc1nccn1C.CC(C)C[C@@H]([C@H](O)c1cn[nH]c1)N(C)C.CC(C)C[C@H](O)[C@H](O)c1cn[nH]c1.CC(C)C[C@H]1C[C@@H]1c1cn[nH]c1.CC(C)Cc1ccco1.Cc1[nH]ccc1CCCC(C)C.Cc1cc(C)n(CCC(C)C)n1.Cc1ccnn1CCC(C)C
InChIInChI=1S/C11H21N3O.3C11H19N.2C11H17N.C10H16N2.2C10H18N2.C9H16N2O2.C9H16N2O.3C9H16N2.C8H15N3.C8H12O/c1-8(2)5-10(14(3)4)11(15)9-6-12-13-7-9;1-10(2)6-4-7-11-8-5-9-12(11)3;1-10(2)5-4-6-11-7-8-12(3)9-11;1-9(2)5-4-6-11-7-8-12-10(11)3;2*1-10(2)6-5-8-11-7-3-4-9-12-11;1-7(2)3-8-4-10(8)9-5-11-12-6-9;1-8(2)5-6-12-10(4)7-9(3)11-12;1-9(2)5-4-6-10-11-7-8-12(10)3;1-6(2)3-8(12)9(13)7-4-10-11-5-7;1-7(2)3-9(12)4-8-5-10-11-6-8;1-8(2)5-7-11-9(3)4-6-10-11;1-8(2)4-3-5-9-10-6-7-11-9;1-8(2)4-3-5-9-6-7-10-11-9;1-7(2)4-8(3)11-6-9-5-10-11;1-7(2)6-8-4-3-5-9-8/h6-8,10-11,15H,5H2,1-4H3,(H,12,13);5,8-10H,4,6-7H2,1-3H3;7-10H,4-6H2,1-3H3;7-9,12H,4-6H2,1-3H3;2*3-4,7,9-10H,5-6,8H2,1-2H3;5-8,10H,3-4H2,1-2H3,(H,11,12);7-8H,5-6H2,1-4H3;7-9H,4-6H2,1-3H3;4-6,8-9,12-13H,3H2,1-2H3,(H,10,11);5-7,9,12H,3-4H2,1-2H3,(H,10,11);4,6,8H,5,7H2,1-3H3;2*6-8H,3-5H2,1-2H3,(H,10,11);5-8H,4H2,1-3H3;3-5,7H,6H2,1-2H3/t10-,11+;;;;;;8-,10-;;;8-,9+;;;;;;/m0.....0..0....../s1
InChIKeyIJYWPKWZNAYVMI-YKXAFTDKSA-N
MW2617.08 g/mol
LogP37.94
Rot. Bonds59

About (1R,2S)-2-(dimethylamino)-4-methyl-1-(1H-pyrazol-4-yl)pentan-1-ol;3,5-dimethyl-1-(3-methylbutyl)pyrazole;5-methyl-1-(3-methylbutyl)pyrazole;1-methyl-2-(4-methylpentyl)imidazole;1-methyl-2-(4-methylpentyl)pyrrole;1-methyl-3-(4-methylpentyl)pyrrole;2-methyl-3-(4-methylpentyl)-1H-pyrrole;1-(4-methylpentan-2-yl)-1,2,4-triazole;2-(4-methylpentyl)-1H-imidazole;5-(4-methylpentyl)-1H-pyrazole;bis(2-(4-methylpentyl)pyridine);4-[(1S,2S)-2-(2-methylpropyl)cyclopropyl]-1H-pyrazole;2-(2-methylpropyl)furan;(1R,2S)-4-methyl-1-(1H-pyrazol-4-yl)pentane-1,2-diol;4-methyl-1-(1H-pyrazol-4-yl)pentan-2-ol

(1R,2S)-2-(dimethylamino)-4-methyl-1-(1H-pyrazol-4-yl)pentan-1-ol;3,5-dimethyl-1-(3-methylbutyl)pyrazole;5-methyl-1-(3-methylbutyl)pyrazole;1-methyl-2-(4-methylpentyl)imidazole;1-methyl-2-(4-methylpentyl)pyrrole;1-methyl-3-(4-methylpentyl)pyrrole;2-methyl-3-(4-methylpentyl)-1H-pyrrole;1-(4-methylpentan-2-yl)-1,2,4-triazole;2-(4-methylpentyl)-1H-imidazole;5-(4-methylpentyl)-1H-pyrazole;bis(2-(4-methylpentyl)pyridine);4-[(1S,2S)-2-(2-methylpropyl)cyclopropyl]-1H-pyrazole;2-(2-methylpropyl)furan;(1R,2S)-4-methyl-1-(1H-pyrazol-4-yl)pentane-1,2-diol;4-methyl-1-(1H-pyrazol-4-yl)pentan-2-ol (PubChem CID 158721463) has the molecular formula C157H271N27O5 and a molecular weight of 2617.08 g/mol. Its IUPAC name is (1R,2S)-2-(dimethylamino)-4-methyl-1-(1H-pyrazol-4-yl)pentan-1-ol;3,5-dimethyl-1-(3-methylbutyl)pyrazole;5-methyl-1-(3-methylbutyl)pyrazole;1-methyl-2-(4-methylpentyl)imidazole;1-methyl-2-(4-methylpentyl)pyrrole;1-methyl-3-(4-methylpentyl)pyrrole;2-methyl-3-(4-methylpentyl)-1H-pyrrole;1-(4-methylpentan-2-yl)-1,2,4-triazole;2-(4-methylpentyl)-1H-imidazole;5-(4-methylpentyl)-1H-pyrazole;bis(2-(4-methylpentyl)pyridine);4-[(1S,2S)-2-(2-methylpropyl)cyclopropyl]-1H-pyrazole;2-(2-methylpropyl)furan;(1R,2S)-4-methyl-1-(1H-pyrazol-4-yl)pentane-1,2-diol;4-methyl-1-(1H-pyrazol-4-yl)pentan-2-ol.

Molecular Properties

Compound Name(1R,2S)-2-(dimethylamino)-4-methyl-1-(1H-pyrazol-4-yl)pentan-1-ol;3,5-dimethyl-1-(3-methylbutyl)pyrazole;5-methyl-1-(3-methylbutyl)pyrazole;1-methyl-2-(4-methylpentyl)imidazole;1-methyl-2-(4-methylpentyl)pyrrole;1-methyl-3-(4-methylpentyl)pyrrole;2-methyl-3-(4-methylpentyl)-1H-pyrrole;1-(4-methylpentan-2-yl)-1,2,4-triazole;2-(4-methylpentyl)-1H-imidazole;5-(4-methylpentyl)-1H-pyrazole;bis(2-(4-methylpentyl)pyridine);4-[(1S,2S)-2-(2-methylpropyl)cyclopropyl]-1H-pyrazole;2-(2-methylpropyl)furan;(1R,2S)-4-methyl-1-(1H-pyrazol-4-yl)pentane-1,2-diol;4-methyl-1-(1H-pyrazol-4-yl)pentan-2-ol
PubChem CID158721463
Molecular FormulaC157H271N27O5
Molecular Weight2617.08 g/mol
Exact Mass2615.18
IUPAC Name(1R,2S)-2-(dimethylamino)-4-methyl-1-(1H-pyrazol-4-yl)pentan-1-ol;3,5-dimethyl-1-(3-methylbutyl)pyrazole;5-methyl-1-(3-methylbutyl)pyrazole;1-methyl-2-(4-methylpentyl)imidazole;1-methyl-2-(4-methylpentyl)pyrrole;1-methyl-3-(4-methylpentyl)pyrrole;2-methyl-3-(4-methylpentyl)-1H-pyrrole;1-(4-methylpentan-2-yl)-1,2,4-triazole;2-(4-methylpentyl)-1H-imidazole;5-(4-methylpentyl)-1H-pyrazole;bis(2-(4-methylpentyl)pyridine);4-[(1S,2S)-2-(2-methylpropyl)cyclopropyl]-1H-pyrazole;2-(2-methylpropyl)furan;(1R,2S)-4-methyl-1-(1H-pyrazol-4-yl)pentane-1,2-diol;4-methyl-1-(1H-pyrazol-4-yl)pentan-2-ol
SMILESCC(C)CC(C)n1cncn1.CC(C)CC(O)Cc1cn[nH]c1.CC(C)CCCc1ccccn1.CC(C)CCCc1ccccn1.CC(C)CCCc1cccn1C.CC(C)CCCc1ccn(C)c1.CC(C)CCCc1ccn[nH]1.CC(C)CCCc1ncc[nH]1.CC(C)CCCc1nccn1C.CC(C)C[C@@H]([C@H](O)c1cn[nH]c1)N(C)C.CC(C)C[C@H](O)[C@H](O)c1cn[nH]c1.CC(C)C[C@H]1C[C@@H]1c1cn[nH]c1.CC(C)Cc1ccco1.Cc1[nH]ccc1CCCC(C)C.Cc1cc(C)n(CCC(C)C)n1.Cc1ccnn1CCC(C)C
InChIInChI=1S/C11H21N3O.3C11H19N.2C11H17N.C10H16N2.2C10H18N2.C9H16N2O2.C9H16N2O.3C9H16N2.C8H15N3.C8H12O/c1-8(2)5-10(14(3)4)11(15)9-6-12-13-7-9;1-10(2)6-4-7-11-8-5-9-12(11)3;1-10(2)5-4-6-11-7-8-12(3)9-11;1-9(2)5-4-6-11-7-8-12-10(11)3;2*1-10(2)6-5-8-11-7-3-4-9-12-11;1-7(2)3-8-4-10(8)9-5-11-12-6-9;1-8(2)5-6-12-10(4)7-9(3)11-12;1-9(2)5-4-6-10-11-7-8-12(10)3;1-6(2)3-8(12)9(13)7-4-10-11-5-7;1-7(2)3-9(12)4-8-5-10-11-6-8;1-8(2)5-7-11-9(3)4-6-10-11;1-8(2)4-3-5-9-10-6-7-11-9;1-8(2)4-3-5-9-6-7-10-11-9;1-7(2)4-8(3)11-6-9-5-10-11;1-7(2)6-8-4-3-5-9-8/h6-8,10-11,15H,5H2,1-4H3,(H,12,13);5,8-10H,4,6-7H2,1-3H3;7-10H,4-6H2,1-3H3;7-9,12H,4-6H2,1-3H3;2*3-4,7,9-10H,5-6,8H2,1-2H3;5-8,10H,3-4H2,1-2H3,(H,11,12);7-8H,5-6H2,1-4H3;7-9H,4-6H2,1-3H3;4-6,8-9,12-13H,3H2,1-2H3,(H,10,11);5-7,9,12H,3-4H2,1-2H3,(H,10,11);4,6,8H,5,7H2,1-3H3;2*6-8H,3-5H2,1-2H3,(H,10,11);5-8H,4H2,1-3H3;3-5,7H,6H2,1-2H3/t10-,11+;;;;;;8-,10-;;;8-,9+;;;;;;/m0.....0..0....../s1
InChIKeyIJYWPKWZNAYVMI-YKXAFTDKSA-N
XLogP37.94
TPSA404.98 Ų
H-Bond Donors11
H-Bond Acceptors25
Rotatable Bonds59
Heavy Atoms189
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002617.08
LogP ≤ 537.94
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1025

Analyze (1R,2S)-2-(dimethylamino)-4-methyl-1-(1H-pyrazol-4-yl)pentan-1-ol;3,5-dimethyl-1-(3-methylbutyl)pyrazole;5-methyl-1-(3-methylbutyl)pyrazole;1-methyl-2-(4-methylpentyl)imidazole;1-methyl-2-(4-methylpentyl)pyrrole;1-methyl-3-(4-methylpentyl)pyrrole;2-methyl-3-(4-methylpentyl)-1H-pyrrole;1-(4-methylpentan-2-yl)-1,2,4-triazole;2-(4-methylpentyl)-1H-imidazole;5-(4-methylpentyl)-1H-pyrazole;bis(2-(4-methylpentyl)pyridine);4-[(1S,2S)-2-(2-methylpropyl)cyclopropyl]-1H-pyrazole;2-(2-methylpropyl)furan;(1R,2S)-4-methyl-1-(1H-pyrazol-4-yl)pentane-1,2-diol;4-methyl-1-(1H-pyrazol-4-yl)pentan-2-ol with MolForge

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Related Compounds

3-cyclopropyl-4,5-dimethyl-3H-pyrazole;1,5-dimethylpyrazole;(1,4-dimethylpyrazol-5-yl)methanol;1,4-dimethyl-3-(trifluoromethyl)pyrazole;1,5-dimethyl-3-(trifluoromethyl)pyrazole;1-ethyl-4-(methoxymethyl)-5-methylpyrazole;1-ethyl-5-methylpyrazole;6-fluoro-2,3-dimethylpyridine;2-methoxy-4,5-dimethylpyridine;1,3,4,5-tetramethylpyrazole;1,4,5-trimethylimidazole;3,4,5-trimethyl-1,2-oxazole;1,3,4-trimethylpyrazole;1,3,5-trimethylpyrazole;bis(1,4,5-trimethylpyrazole);3,4,5-trimethyl-1H-pyrazole;1,4,5-trimethyltriazole;3,4,5-trimethyl-1,2,4-triazole
CID 159642450
1-tert-butyl-4-ethylpyrazole;2-tert-butylfuran;1-tert-butylimidazole;1-tert-butyl-3-methylpyrazole;bis(1-tert-butyl-4-methylpyrazole);4-tert-butyl-1-methylpyrazole;1-tert-butyl-3-methyl-1,2,4-triazole;1-tert-butyl-4-methyltriazole;2-tert-butyl-4-methyltriazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;bis(1-tert-butylpyrazole);4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;4-tert-butylpyrimidine;1-tert-butyltetrazole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;4-tert-butyl-1,2,4-triazole;1-tert-butyl-3-(trifluoromethyl)pyrazole
CID 168404439
5-(2,3-dimethylimidazol-4-yl)-3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridine
CID 137038385
[4-[3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-1-methylpyrazol-3-yl]methanol
CID 137041457
[4-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-1-methylpyrazol-3-yl]methanol
CID 137110742
[4-[3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-1-methylpyrazol-3-yl]methanol
CID 137312588
3-(furan-2-yl)-2-(1H-imidazol-2-yl)-4-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-5-pyridin-2-yl-3-pyrimidin-2-yl-6-(1H-1,2,4-triazol-5-yl)-4H-pyridazine
CID 141037634
2-(furan-2-yl)-4-(1-methylimidazol-2-yl)-5-(3-methylimidazol-4-yl)-6-(1H-pyrrol-2-yl)-3-(1H-1,2,4-triazol-5-yl)pyridine
CID 141102853
[4-[8-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5,6-dihydropyrido[2,3-d]pyridazin-2-yl]-1-methylpyrazol-3-yl]methanol
CID 145244815
1-(azetidin-3-yl)-2-methylpropan-1-ol;2-cyclopropyl-3-methylbutan-2-ol;1-(2,3-dimethylbutan-2-yl)imidazole;2-(2,3-dimethylbutan-2-yl)-1H-imidazole;N-(2,3-dimethylbutan-2-yl)-1-methylazetidin-3-amine;3-(2,3-dimethylbutan-2-yl)-2-methylidene-1,3-oxazolidine;4-(2,3-dimethylbutan-2-yl)-5-methylidene-1H-1,2,4-triazole;1-(2,3-dimethylbutan-2-yl)-2-methylimidazole;1-(2,3-dimethylbutan-2-yl)-4-methylpiperazine;2,3-dimethyl-1-pyrazol-1-ylbutan-2-ol;2-(furan-2-yl)-3-methylbutan-2-ol;(1S)-2-methyl-1-(1-methylimidazol-4-yl)propan-1-ol;(1R)-2-methyl-1-(1-methylimidazol-4-yl)propan-1-ol;bis(1-methyl-4-(2-methylpropyl)piperazine);3-methyl-2-phenylbutan-2-ol;4-(2-methylpropyl)morpholine
CID 157086376
1-(azetidin-3-yl)-2-methylpropan-1-ol;2-cyclopropyl-3-methylbutan-2-ol;1-(2,3-dimethylbutan-2-yl)imidazole;N-(2,3-dimethylbutan-2-yl)-1-methylazetidin-3-amine;3-(2,3-dimethylbutan-2-yl)-2-methylidene-1,3-oxazolidine;4-(2,3-dimethylbutan-2-yl)-5-methylidene-1H-1,2,4-triazole;1-(2,3-dimethylbutan-2-yl)-2-methylimidazole;1-(2,3-dimethylbutan-2-yl)-4-methylpiperazine;2-(2,3-dimethylbutan-2-yl)-3H-pyrrole;2,3-dimethyl-1-pyrazol-1-ylbutan-2-ol;2-(furan-2-yl)-3-methylbutan-2-ol;methane;(1R)-2-methyl-1-(1-methylimidazol-4-yl)propan-1-ol;(1S)-2-methyl-1-(1-methylimidazol-4-yl)propan-1-ol;bis(1-methyl-4-(2-methylpropyl)piperazine);3-methyl-2-phenylbutan-2-ol;4-(2-methylpropyl)morpholine
CID 157177086
5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine;5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine;N-[[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine;3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine
CID 157198046

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-(dimethylamino)-4-methyl-1-(1H-pyrazol-4-yl)pentan-1-ol;3,5-dimethyl-1-(3-methylbutyl)pyrazole;5-methyl-1-(3-methylbutyl)pyrazole;1-methyl-2-(4-methylpentyl)imidazole;1-methyl-2-(4-methylpentyl)pyrrole;1-methyl-3-(4-methylpentyl)pyrrole;2-methyl-3-(4-methylpentyl)-1H-pyrrole;1-(4-methylpentan-2-yl)-1,2,4-triazole;2-(4-methylpentyl)-1H-imidazole;5-(4-methylpentyl)-1H-pyrazole;bis(2-(4-methylpentyl)pyridine);4-[(1S,2S)-2-(2-methylpropyl)cyclopropyl]-1H-pyrazole;2-(2-methylpropyl)furan;(1R,2S)-4-methyl-1-(1H-pyrazol-4-yl)pentane-1,2-diol;4-methyl-1-(1H-pyrazol-4-yl)pentan-2-ol?
The IUPAC name of (1R,2S)-2-(dimethylamino)-4-methyl-1-(1H-pyrazol-4-yl)pentan-1-ol;3,5-dimethyl-1-(3-methylbutyl)pyrazole;5-methyl-1-(3-methylbutyl)pyrazole;1-methyl-2-(4-methylpentyl)imidazole;1-methyl-2-(4-methylpentyl)pyrrole;1-methyl-3-(4-methylpentyl)pyrrole;2-methyl-3-(4-methylpentyl)-1H-pyrrole;1-(4-methylpentan-2-yl)-1,2,4-triazole;2-(4-methylpentyl)-1H-imidazole;5-(4-methylpentyl)-1H-pyrazole;bis(2-(4-methylpentyl)pyridine);4-[(1S,2S)-2-(2-methylpropyl)cyclopropyl]-1H-pyrazole;2-(2-methylpropyl)furan;(1R,2S)-4-methyl-1-(1H-pyrazol-4-yl)pentane-1,2-diol;4-methyl-1-(1H-pyrazol-4-yl)pentan-2-ol (CID 158721463) is (1R,2S)-2-(dimethylamino)-4-methyl-1-(1H-pyrazol-4-yl)pentan-1-ol;3,5-dimethyl-1-(3-methylbutyl)pyrazole;5-methyl-1-(3-methylbutyl)pyrazole;1-methyl-2-(4-methylpentyl)imidazole;1-methyl-2-(4-methylpentyl)pyrrole;1-methyl-3-(4-methylpentyl)pyrrole;2-methyl-3-(4-methylpentyl)-1H-pyrrole;1-(4-methylpentan-2-yl)-1,2,4-triazole;2-(4-methylpentyl)-1H-imidazole;5-(4-methylpentyl)-1H-pyrazole;bis(2-(4-methylpentyl)pyridine);4-[(1S,2S)-2-(2-methylpropyl)cyclopropyl]-1H-pyrazole;2-(2-methylpropyl)furan;(1R,2S)-4-methyl-1-(1H-pyrazol-4-yl)pentane-1,2-diol;4-methyl-1-(1H-pyrazol-4-yl)pentan-2-ol.
What is the SMILES notation for (1R,2S)-2-(dimethylamino)-4-methyl-1-(1H-pyrazol-4-yl)pentan-1-ol;3,5-dimethyl-1-(3-methylbutyl)pyrazole;5-methyl-1-(3-methylbutyl)pyrazole;1-methyl-2-(4-methylpentyl)imidazole;1-methyl-2-(4-methylpentyl)pyrrole;1-methyl-3-(4-methylpentyl)pyrrole;2-methyl-3-(4-methylpentyl)-1H-pyrrole;1-(4-methylpentan-2-yl)-1,2,4-triazole;2-(4-methylpentyl)-1H-imidazole;5-(4-methylpentyl)-1H-pyrazole;bis(2-(4-methylpentyl)pyridine);4-[(1S,2S)-2-(2-methylpropyl)cyclopropyl]-1H-pyrazole;2-(2-methylpropyl)furan;(1R,2S)-4-methyl-1-(1H-pyrazol-4-yl)pentane-1,2-diol;4-methyl-1-(1H-pyrazol-4-yl)pentan-2-ol?
The canonical SMILES for (1R,2S)-2-(dimethylamino)-4-methyl-1-(1H-pyrazol-4-yl)pentan-1-ol;3,5-dimethyl-1-(3-methylbutyl)pyrazole;5-methyl-1-(3-methylbutyl)pyrazole;1-methyl-2-(4-methylpentyl)imidazole;1-methyl-2-(4-methylpentyl)pyrrole;1-methyl-3-(4-methylpentyl)pyrrole;2-methyl-3-(4-methylpentyl)-1H-pyrrole;1-(4-methylpentan-2-yl)-1,2,4-triazole;2-(4-methylpentyl)-1H-imidazole;5-(4-methylpentyl)-1H-pyrazole;bis(2-(4-methylpentyl)pyridine);4-[(1S,2S)-2-(2-methylpropyl)cyclopropyl]-1H-pyrazole;2-(2-methylpropyl)furan;(1R,2S)-4-methyl-1-(1H-pyrazol-4-yl)pentane-1,2-diol;4-methyl-1-(1H-pyrazol-4-yl)pentan-2-ol is CC(C)CC(C)n1cncn1.CC(C)CC(O)Cc1cn[nH]c1.CC(C)CCCc1ccccn1.CC(C)CCCc1ccccn1.CC(C)CCCc1cccn1C.CC(C)CCCc1ccn(C)c1.CC(C)CCCc1ccn[nH]1.CC(C)CCCc1ncc[nH]1.CC(C)CCCc1nccn1C.CC(C)C[C@@H]([C@H](O)c1cn[nH]c1)N(C)C.CC(C)C[C@H](O)[C@H](O)c1cn[nH]c1.CC(C)C[C@H]1C[C@@H]1c1cn[nH]c1.CC(C)Cc1ccco1.Cc1[nH]ccc1CCCC(C)C.Cc1cc(C)n(CCC(C)C)n1.Cc1ccnn1CCC(C)C.
What is the InChIKey of (1R,2S)-2-(dimethylamino)-4-methyl-1-(1H-pyrazol-4-yl)pentan-1-ol;3,5-dimethyl-1-(3-methylbutyl)pyrazole;5-methyl-1-(3-methylbutyl)pyrazole;1-methyl-2-(4-methylpentyl)imidazole;1-methyl-2-(4-methylpentyl)pyrrole;1-methyl-3-(4-methylpentyl)pyrrole;2-methyl-3-(4-methylpentyl)-1H-pyrrole;1-(4-methylpentan-2-yl)-1,2,4-triazole;2-(4-methylpentyl)-1H-imidazole;5-(4-methylpentyl)-1H-pyrazole;bis(2-(4-methylpentyl)pyridine);4-[(1S,2S)-2-(2-methylpropyl)cyclopropyl]-1H-pyrazole;2-(2-methylpropyl)furan;(1R,2S)-4-methyl-1-(1H-pyrazol-4-yl)pentane-1,2-diol;4-methyl-1-(1H-pyrazol-4-yl)pentan-2-ol?
The InChIKey is IJYWPKWZNAYVMI-YKXAFTDKSA-N. The full InChI is InChI=1S/C11H21N3O.3C11H19N.2C11H17N.C10H16N2.2C10H18N2.C9H16N2O2.C9H16N2O.3C9H16N2.C8H15N3.C8H12O/c1-8(2)5-10(14(3)4)11(15)9-6-12-13-7-9;1-10(2)6-4-7-11-8-5-9-12(11)3;1-10(2)5-4-6-11-7-8-12(3)9-11;1-9(2)5-4-6-11-7-8-12-10(11)3;2*1-10(2)6-5-8-11-7-3-4-9-12-11;1-7(2)3-8-4-10(8)9-5-11-12-6-9;1-8(2)5-6-12-10(4)7-9(3)11-12;1-9(2)5-4-6-10-11-7-8-12(10)3;1-6(2)3-8(12)9(13)7-4-10-11-5-7;1-7(2)3-9(12)4-8-5-10-11-6-8;1-8(2)5-7-11-9(3)4-6-10-11;1-8(2)4-3-5-9-10-6-7-11-9;1-8(2)4-3-5-9-6-7-10-11-9;1-7(2)4-8(3)11-6-9-5-10-11;1-7(2)6-8-4-3-5-9-8/h6-8,10-11,15H,5H2,1-4H3,(H,12,13);5,8-10H,4,6-7H2,1-3H3;7-10H,4-6H2,1-3H3;7-9,12H,4-6H2,1-3H3;2*3-4,7,9-10H,5-6,8H2,1-2H3;5-8,10H,3-4H2,1-2H3,(H,11,12);7-8H,5-6H2,1-4H3;7-9H,4-6H2,1-3H3;4-6,8-9,12-13H,3H2,1-2H3,(H,10,11);5-7,9,12H,3-4H2,1-2H3,(H,10,11);4,6,8H,5,7H2,1-3H3;2*6-8H,3-5H2,1-2H3,(H,10,11);5-8H,4H2,1-3H3;3-5,7H,6H2,1-2H3/t10-,11+;;;;;;8-,10-;;;8-,9+;;;;;;/m0.....0..0....../s1.
What are the key properties of (1R,2S)-2-(dimethylamino)-4-methyl-1-(1H-pyrazol-4-yl)pentan-1-ol;3,5-dimethyl-1-(3-methylbutyl)pyrazole;5-methyl-1-(3-methylbutyl)pyrazole;1-methyl-2-(4-methylpentyl)imidazole;1-methyl-2-(4-methylpentyl)pyrrole;1-methyl-3-(4-methylpentyl)pyrrole;2-methyl-3-(4-methylpentyl)-1H-pyrrole;1-(4-methylpentan-2-yl)-1,2,4-triazole;2-(4-methylpentyl)-1H-imidazole;5-(4-methylpentyl)-1H-pyrazole;bis(2-(4-methylpentyl)pyridine);4-[(1S,2S)-2-(2-methylpropyl)cyclopropyl]-1H-pyrazole;2-(2-methylpropyl)furan;(1R,2S)-4-methyl-1-(1H-pyrazol-4-yl)pentane-1,2-diol;4-methyl-1-(1H-pyrazol-4-yl)pentan-2-ol?
(1R,2S)-2-(dimethylamino)-4-methyl-1-(1H-pyrazol-4-yl)pentan-1-ol;3,5-dimethyl-1-(3-methylbutyl)pyrazole;5-methyl-1-(3-methylbutyl)pyrazole;1-methyl-2-(4-methylpentyl)imidazole;1-methyl-2-(4-methylpentyl)pyrrole;1-methyl-3-(4-methylpentyl)pyrrole;2-methyl-3-(4-methylpentyl)-1H-pyrrole;1-(4-methylpentan-2-yl)-1,2,4-triazole;2-(4-methylpentyl)-1H-imidazole;5-(4-methylpentyl)-1H-pyrazole;bis(2-(4-methylpentyl)pyridine);4-[(1S,2S)-2-(2-methylpropyl)cyclopropyl]-1H-pyrazole;2-(2-methylpropyl)furan;(1R,2S)-4-methyl-1-(1H-pyrazol-4-yl)pentane-1,2-diol;4-methyl-1-(1H-pyrazol-4-yl)pentan-2-ol has a molecular weight of 2617.08 g/mol, XLogP of 37.94, 59 rotatable bonds, 11 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-(dimethylamino)-4-methyl-1-(1H-pyrazol-4-yl)pentan-1-ol;3,5-dimethyl-1-(3-methylbutyl)pyrazole;5-methyl-1-(3-methylbutyl)pyrazole;1-methyl-2-(4-methylpentyl)imidazole;1-methyl-2-(4-methylpentyl)pyrrole;1-methyl-3-(4-methylpentyl)pyrrole;2-methyl-3-(4-methylpentyl)-1H-pyrrole;1-(4-methylpentan-2-yl)-1,2,4-triazole;2-(4-methylpentyl)-1H-imidazole;5-(4-methylpentyl)-1H-pyrazole;bis(2-(4-methylpentyl)pyridine);4-[(1S,2S)-2-(2-methylpropyl)cyclopropyl]-1H-pyrazole;2-(2-methylpropyl)furan;(1R,2S)-4-methyl-1-(1H-pyrazol-4-yl)pentane-1,2-diol;4-methyl-1-(1H-pyrazol-4-yl)pentan-2-ol is sourced from PubChem (CID 158721463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).