anisole;tert-butyl 4-(4-methylpyrazol-1-yl)piperidine-1-carboxylate;[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methylphenyl)methanone;1-(2-methoxyethyl)-4-methylpyrazole;2-(methylamino)ethanol;N-methylaniline;4-methyl-1-(2-methylpropyl)pyrazole;4-methyl-1-(oxan-4-yl)pyrazole;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone;2-(4-methylpyrazol-1-yl)acetic acid;4-[2-(4-methylpyrazol-1-yl)ethyl]morpholine;4-(4-methylpyrazol-1-yl)piperidine;1-(4-methylpyrazol-1-yl)propan-2-one;2-(4-methylpyrazol-1-yl)-1-pyrrolidin-1-ylethanone;(3R)-1-methylpyrrolidin-3-ol;4-methyl-1-[(3S)-pyrrolidin-3-yl]pyrazole;propan-2-one;(propan-2-ylideneamino)urea

C142H226N34O17 — CID 159233461

IUPACanisole;tert-butyl 4-(4-methylpyrazol-1-yl)piperidine-1-carboxylate;[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methylphenyl)methanone;1-(2-methoxyethyl)-4-methylpyrazole;2-(methylamino)ethanol;N-methylaniline;4-methyl-1-(2-methylpropyl)pyrazole;4-methyl-1-(oxan-4-yl)pyrazole;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone;2-(4-methylpyrazol-1-yl)acetic acid;4-[2-(4-methylpyrazol-1-yl)ethyl]morpholine;4-(4-methylpyrazol-1-yl)piperidine;1-(4-methylpyrazol-1-yl)propan-2-one;2-(4-methylpyrazol-1-yl)-1-pyrrolidin-1-ylethanone;(3R)-1-methylpyrrolidin-3-ol;4-methyl-1-[(3S)-pyrrolidin-3-yl]pyrazole;propan-2-one;(propan-2-ylideneamino)urea
SMILESCC(=O)Cn1cc(C)cn1.CC(C)=NNC(N)=O.CC(C)=O.CN1CC[C@@H](O)C1.CNCCO.CNc1ccccc1.COCCn1cc(C)cn1.COc1ccccc1.Cc1ccc(C(=O)N2CCN(C)CC2)cc1.Cc1ccc(C(=O)N2CC[C@@H](O)C2)cc1.Cc1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1.Cc1cnn(C2CCNCC2)c1.Cc1cnn(C2CCOCC2)c1.Cc1cnn(CC(=O)N2CCCC2)c1.Cc1cnn(CC(=O)O)c1.Cc1cnn(CC(C)C)c1.Cc1cnn(CCN2CCOCC2)c1.Cc1cnn([C@H]2CCNC2)c1
InChIInChI=1S/C14H23N3O2.C13H18N2O.C12H15NO2.C10H17N3O.C10H15N3O.C9H15N3.C9H14N2O.C8H13N3.C8H14N2.C7H10N2O.C7H12N2O.C7H9N.C7H8O.C6H8N2O2.C5H11NO.C4H9N3O.C3H9NO.C3H6O/c1-11-9-15-17(10-11)12-5-7-16(8-6-12)13(18)19-14(2,3)4;1-11-3-5-12(6-4-11)13(16)15-9-7-14(2)8-10-15;1-9-2-4-10(5-3-9)12(15)13-7-6-11(14)8-13;1-10-8-11-13(9-10)3-2-12-4-6-14-7-5-12;1-9-6-11-13(7-9)8-10(14)12-4-2-3-5-12;1-8-6-11-12(7-8)9-2-4-10-5-3-9;1-8-6-10-11(7-8)9-2-4-12-5-3-9;1-7-4-10-11(6-7)8-2-3-9-5-8;1-7(2)5-10-6-8(3)4-9-10;1-6-3-8-9(4-6)5-7(2)10;1-7-5-8-9(6-7)3-4-10-2;2*1-8-7-5-3-2-4-6-7;1-5-2-7-8(3-5)4-6(9)10;1-6-3-2-5(7)4-6;1-3(2)6-7-4(5)8;1-4-2-3-5;1-3(2)4/h9-10,12H,5-8H2,1-4H3;3-6H,7-10H2,1-2H3;2-5,11,14H,6-8H2,1H3;8-9H,2-7H2,1H3;6-7H,2-5,8H2,1H3;6-7,9-10H,2-5H2,1H3;6-7,9H,2-5H2,1H3;4,6,8-9H,2-3,5H2,1H3;4,6-7H,5H2,1-3H3;3-4H,5H2,1-2H3;5-6H,3-4H2,1-2H3;2-6,8H,1H3;2-6H,1H3;2-3H,4H2,1H3,(H,9,10);5,7H,2-4H2,1H3;1-2H3,(H3,5,7,8);4-5H,2-3H2,1H3;1-2H3/t;;11-;;;;;8-;;;;;;;5-;;;/m..1....0......1.../s1
InChIKeyKTEMQEMJQIWRMJ-CABUGYTQSA-N
MW2681.59 g/mol
LogP16.76
Rot. Bonds25

About anisole;tert-butyl 4-(4-methylpyrazol-1-yl)piperidine-1-carboxylate;[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methylphenyl)methanone;1-(2-methoxyethyl)-4-methylpyrazole;2-(methylamino)ethanol;N-methylaniline;4-methyl-1-(2-methylpropyl)pyrazole;4-methyl-1-(oxan-4-yl)pyrazole;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone;2-(4-methylpyrazol-1-yl)acetic acid;4-[2-(4-methylpyrazol-1-yl)ethyl]morpholine;4-(4-methylpyrazol-1-yl)piperidine;1-(4-methylpyrazol-1-yl)propan-2-one;2-(4-methylpyrazol-1-yl)-1-pyrrolidin-1-ylethanone;(3R)-1-methylpyrrolidin-3-ol;4-methyl-1-[(3S)-pyrrolidin-3-yl]pyrazole;propan-2-one;(propan-2-ylideneamino)urea

anisole;tert-butyl 4-(4-methylpyrazol-1-yl)piperidine-1-carboxylate;[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methylphenyl)methanone;1-(2-methoxyethyl)-4-methylpyrazole;2-(methylamino)ethanol;N-methylaniline;4-methyl-1-(2-methylpropyl)pyrazole;4-methyl-1-(oxan-4-yl)pyrazole;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone;2-(4-methylpyrazol-1-yl)acetic acid;4-[2-(4-methylpyrazol-1-yl)ethyl]morpholine;4-(4-methylpyrazol-1-yl)piperidine;1-(4-methylpyrazol-1-yl)propan-2-one;2-(4-methylpyrazol-1-yl)-1-pyrrolidin-1-ylethanone;(3R)-1-methylpyrrolidin-3-ol;4-methyl-1-[(3S)-pyrrolidin-3-yl]pyrazole;propan-2-one;(propan-2-ylideneamino)urea (PubChem CID 159233461) has the molecular formula C142H226N34O17 and a molecular weight of 2681.59 g/mol. Its IUPAC name is anisole;tert-butyl 4-(4-methylpyrazol-1-yl)piperidine-1-carboxylate;[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methylphenyl)methanone;1-(2-methoxyethyl)-4-methylpyrazole;2-(methylamino)ethanol;N-methylaniline;4-methyl-1-(2-methylpropyl)pyrazole;4-methyl-1-(oxan-4-yl)pyrazole;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone;2-(4-methylpyrazol-1-yl)acetic acid;4-[2-(4-methylpyrazol-1-yl)ethyl]morpholine;4-(4-methylpyrazol-1-yl)piperidine;1-(4-methylpyrazol-1-yl)propan-2-one;2-(4-methylpyrazol-1-yl)-1-pyrrolidin-1-ylethanone;(3R)-1-methylpyrrolidin-3-ol;4-methyl-1-[(3S)-pyrrolidin-3-yl]pyrazole;propan-2-one;(propan-2-ylideneamino)urea.

Molecular Properties

Compound Nameanisole;tert-butyl 4-(4-methylpyrazol-1-yl)piperidine-1-carboxylate;[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methylphenyl)methanone;1-(2-methoxyethyl)-4-methylpyrazole;2-(methylamino)ethanol;N-methylaniline;4-methyl-1-(2-methylpropyl)pyrazole;4-methyl-1-(oxan-4-yl)pyrazole;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone;2-(4-methylpyrazol-1-yl)acetic acid;4-[2-(4-methylpyrazol-1-yl)ethyl]morpholine;4-(4-methylpyrazol-1-yl)piperidine;1-(4-methylpyrazol-1-yl)propan-2-one;2-(4-methylpyrazol-1-yl)-1-pyrrolidin-1-ylethanone;(3R)-1-methylpyrrolidin-3-ol;4-methyl-1-[(3S)-pyrrolidin-3-yl]pyrazole;propan-2-one;(propan-2-ylideneamino)urea
PubChem CID159233461
Molecular FormulaC142H226N34O17
Molecular Weight2681.59 g/mol
Exact Mass2679.79
IUPAC Nameanisole;tert-butyl 4-(4-methylpyrazol-1-yl)piperidine-1-carboxylate;[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methylphenyl)methanone;1-(2-methoxyethyl)-4-methylpyrazole;2-(methylamino)ethanol;N-methylaniline;4-methyl-1-(2-methylpropyl)pyrazole;4-methyl-1-(oxan-4-yl)pyrazole;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone;2-(4-methylpyrazol-1-yl)acetic acid;4-[2-(4-methylpyrazol-1-yl)ethyl]morpholine;4-(4-methylpyrazol-1-yl)piperidine;1-(4-methylpyrazol-1-yl)propan-2-one;2-(4-methylpyrazol-1-yl)-1-pyrrolidin-1-ylethanone;(3R)-1-methylpyrrolidin-3-ol;4-methyl-1-[(3S)-pyrrolidin-3-yl]pyrazole;propan-2-one;(propan-2-ylideneamino)urea
SMILESCC(=O)Cn1cc(C)cn1.CC(C)=NNC(N)=O.CC(C)=O.CN1CC[C@@H](O)C1.CNCCO.CNc1ccccc1.COCCn1cc(C)cn1.COc1ccccc1.Cc1ccc(C(=O)N2CCN(C)CC2)cc1.Cc1ccc(C(=O)N2CC[C@@H](O)C2)cc1.Cc1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1.Cc1cnn(C2CCNCC2)c1.Cc1cnn(C2CCOCC2)c1.Cc1cnn(CC(=O)N2CCCC2)c1.Cc1cnn(CC(=O)O)c1.Cc1cnn(CC(C)C)c1.Cc1cnn(CCN2CCOCC2)c1.Cc1cnn([C@H]2CCNC2)c1
InChIInChI=1S/C14H23N3O2.C13H18N2O.C12H15NO2.C10H17N3O.C10H15N3O.C9H15N3.C9H14N2O.C8H13N3.C8H14N2.C7H10N2O.C7H12N2O.C7H9N.C7H8O.C6H8N2O2.C5H11NO.C4H9N3O.C3H9NO.C3H6O/c1-11-9-15-17(10-11)12-5-7-16(8-6-12)13(18)19-14(2,3)4;1-11-3-5-12(6-4-11)13(16)15-9-7-14(2)8-10-15;1-9-2-4-10(5-3-9)12(15)13-7-6-11(14)8-13;1-10-8-11-13(9-10)3-2-12-4-6-14-7-5-12;1-9-6-11-13(7-9)8-10(14)12-4-2-3-5-12;1-8-6-11-12(7-8)9-2-4-10-5-3-9;1-8-6-10-11(7-8)9-2-4-12-5-3-9;1-7-4-10-11(6-7)8-2-3-9-5-8;1-7(2)5-10-6-8(3)4-9-10;1-6-3-8-9(4-6)5-7(2)10;1-7-5-8-9(6-7)3-4-10-2;2*1-8-7-5-3-2-4-6-7;1-5-2-7-8(3-5)4-6(9)10;1-6-3-2-5(7)4-6;1-3(2)6-7-4(5)8;1-4-2-3-5;1-3(2)4/h9-10,12H,5-8H2,1-4H3;3-6H,7-10H2,1-2H3;2-5,11,14H,6-8H2,1H3;8-9H,2-7H2,1H3;6-7H,2-5,8H2,1H3;6-7,9-10H,2-5H2,1H3;6-7,9H,2-5H2,1H3;4,6,8-9H,2-3,5H2,1H3;4,6-7H,5H2,1-3H3;3-4H,5H2,1-2H3;5-6H,3-4H2,1-2H3;2-6,8H,1H3;2-6H,1H3;2-3H,4H2,1H3,(H,9,10);5,7H,2-4H2,1H3;1-2H3,(H3,5,7,8);4-5H,2-3H2,1H3;1-2H3/t;;11-;;;;;8-;;;;;;;5-;;;/m..1....0......1.../s1
InChIKeyKTEMQEMJQIWRMJ-CABUGYTQSA-N
XLogP16.76
TPSA563.04 Ų
H-Bond Donors10
H-Bond Acceptors44
Rotatable Bonds25
Heavy Atoms193
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002681.59
LogP ≤ 516.76
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze anisole;tert-butyl 4-(4-methylpyrazol-1-yl)piperidine-1-carboxylate;[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methylphenyl)methanone;1-(2-methoxyethyl)-4-methylpyrazole;2-(methylamino)ethanol;N-methylaniline;4-methyl-1-(2-methylpropyl)pyrazole;4-methyl-1-(oxan-4-yl)pyrazole;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone;2-(4-methylpyrazol-1-yl)acetic acid;4-[2-(4-methylpyrazol-1-yl)ethyl]morpholine;4-(4-methylpyrazol-1-yl)piperidine;1-(4-methylpyrazol-1-yl)propan-2-one;2-(4-methylpyrazol-1-yl)-1-pyrrolidin-1-ylethanone;(3R)-1-methylpyrrolidin-3-ol;4-methyl-1-[(3S)-pyrrolidin-3-yl]pyrazole;propan-2-one;(propan-2-ylideneamino)urea with MolForge

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Related Compounds

methane;4-(2-methoxyethyl)morpholine;4-[2-(4-methylphenoxy)ethyl]morpholine;1-[2-(4-methylphenoxy)ethyl]pyrrolidine;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 157308320
tert-butyl (3S)-3-hydroxypyrrolidine-1-carboxylate;tert-butyl pyrrolidine-1-carboxylate;(1R)-1-(3-methoxyphenyl)ethanamine;(3R)-3-[(2S)-2-(3-methoxyphenyl)propyl]pyrrolidine;1-methoxy-3-propan-2-ylbenzene
CID 161382115
tert-butyl 4-[4-[[4-(4-amino-4-oxo-1-phenylbutan-2-yl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate
CID 90007833
tert-butyl 4-[2-[4-[4-(4-methylpiperazine-1-carbonyl)phenyl]piperazin-1-yl]ethyl]piperidine-1-carboxylate
CID 15949000
tert-butyl 4-[4-(propan-2-ylamino)pyrazol-1-yl]piperidine-1-carboxylate
CID 104584235
tert-butyl 4-[4-(cyclopropylmethylamino)pyrazol-1-yl]piperidine-1-carboxylate
CID 104587606
1-[(1S,9R,10S)-18-benzoyl-10-hydroxy-4-methoxy-13,18-diazatetracyclo[7.6.3.01,10.02,7]octadeca-2(7),3,5-trien-13-yl]-2-(4-methylpyrazol-1-yl)ethanone
CID 172745619
N-[(1-acetylpyrrolidin-3-yl)methyl]-2-(3-tert-butylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N,N-dimethyl-4-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzamide;(4-methylpiperazin-1-yl)-[4-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]methanone;morpholin-4-yl-[4-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]methanone;[2-[[(1R)-1-phenylethyl]amino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone
CID 158958269
tert-butyl 4-[4-[[4-[4-(cyanomethylcarbamoyl)phenyl]-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate
CID 156781748
tert-butyl 4-[1-(4-methoxyphenyl)-4-[2-(4-methylpiperazin-1-yl)ethylcarbamoyl]pyrazol-5-yl]piperidine-1-carboxylate
CID 46281244
(6S)-1-[2-(4-methylpyrazol-1-yl)acetyl]-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide
CID 124940394
CID 157215192
CID 157215192

Frequently Asked Questions

What is the IUPAC name of anisole;tert-butyl 4-(4-methylpyrazol-1-yl)piperidine-1-carboxylate;[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methylphenyl)methanone;1-(2-methoxyethyl)-4-methylpyrazole;2-(methylamino)ethanol;N-methylaniline;4-methyl-1-(2-methylpropyl)pyrazole;4-methyl-1-(oxan-4-yl)pyrazole;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone;2-(4-methylpyrazol-1-yl)acetic acid;4-[2-(4-methylpyrazol-1-yl)ethyl]morpholine;4-(4-methylpyrazol-1-yl)piperidine;1-(4-methylpyrazol-1-yl)propan-2-one;2-(4-methylpyrazol-1-yl)-1-pyrrolidin-1-ylethanone;(3R)-1-methylpyrrolidin-3-ol;4-methyl-1-[(3S)-pyrrolidin-3-yl]pyrazole;propan-2-one;(propan-2-ylideneamino)urea?
The IUPAC name of anisole;tert-butyl 4-(4-methylpyrazol-1-yl)piperidine-1-carboxylate;[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methylphenyl)methanone;1-(2-methoxyethyl)-4-methylpyrazole;2-(methylamino)ethanol;N-methylaniline;4-methyl-1-(2-methylpropyl)pyrazole;4-methyl-1-(oxan-4-yl)pyrazole;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone;2-(4-methylpyrazol-1-yl)acetic acid;4-[2-(4-methylpyrazol-1-yl)ethyl]morpholine;4-(4-methylpyrazol-1-yl)piperidine;1-(4-methylpyrazol-1-yl)propan-2-one;2-(4-methylpyrazol-1-yl)-1-pyrrolidin-1-ylethanone;(3R)-1-methylpyrrolidin-3-ol;4-methyl-1-[(3S)-pyrrolidin-3-yl]pyrazole;propan-2-one;(propan-2-ylideneamino)urea (CID 159233461) is anisole;tert-butyl 4-(4-methylpyrazol-1-yl)piperidine-1-carboxylate;[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methylphenyl)methanone;1-(2-methoxyethyl)-4-methylpyrazole;2-(methylamino)ethanol;N-methylaniline;4-methyl-1-(2-methylpropyl)pyrazole;4-methyl-1-(oxan-4-yl)pyrazole;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone;2-(4-methylpyrazol-1-yl)acetic acid;4-[2-(4-methylpyrazol-1-yl)ethyl]morpholine;4-(4-methylpyrazol-1-yl)piperidine;1-(4-methylpyrazol-1-yl)propan-2-one;2-(4-methylpyrazol-1-yl)-1-pyrrolidin-1-ylethanone;(3R)-1-methylpyrrolidin-3-ol;4-methyl-1-[(3S)-pyrrolidin-3-yl]pyrazole;propan-2-one;(propan-2-ylideneamino)urea.
What is the SMILES notation for anisole;tert-butyl 4-(4-methylpyrazol-1-yl)piperidine-1-carboxylate;[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methylphenyl)methanone;1-(2-methoxyethyl)-4-methylpyrazole;2-(methylamino)ethanol;N-methylaniline;4-methyl-1-(2-methylpropyl)pyrazole;4-methyl-1-(oxan-4-yl)pyrazole;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone;2-(4-methylpyrazol-1-yl)acetic acid;4-[2-(4-methylpyrazol-1-yl)ethyl]morpholine;4-(4-methylpyrazol-1-yl)piperidine;1-(4-methylpyrazol-1-yl)propan-2-one;2-(4-methylpyrazol-1-yl)-1-pyrrolidin-1-ylethanone;(3R)-1-methylpyrrolidin-3-ol;4-methyl-1-[(3S)-pyrrolidin-3-yl]pyrazole;propan-2-one;(propan-2-ylideneamino)urea?
The canonical SMILES for anisole;tert-butyl 4-(4-methylpyrazol-1-yl)piperidine-1-carboxylate;[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methylphenyl)methanone;1-(2-methoxyethyl)-4-methylpyrazole;2-(methylamino)ethanol;N-methylaniline;4-methyl-1-(2-methylpropyl)pyrazole;4-methyl-1-(oxan-4-yl)pyrazole;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone;2-(4-methylpyrazol-1-yl)acetic acid;4-[2-(4-methylpyrazol-1-yl)ethyl]morpholine;4-(4-methylpyrazol-1-yl)piperidine;1-(4-methylpyrazol-1-yl)propan-2-one;2-(4-methylpyrazol-1-yl)-1-pyrrolidin-1-ylethanone;(3R)-1-methylpyrrolidin-3-ol;4-methyl-1-[(3S)-pyrrolidin-3-yl]pyrazole;propan-2-one;(propan-2-ylideneamino)urea is CC(=O)Cn1cc(C)cn1.CC(C)=NNC(N)=O.CC(C)=O.CN1CC[C@@H](O)C1.CNCCO.CNc1ccccc1.COCCn1cc(C)cn1.COc1ccccc1.Cc1ccc(C(=O)N2CCN(C)CC2)cc1.Cc1ccc(C(=O)N2CC[C@@H](O)C2)cc1.Cc1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1.Cc1cnn(C2CCNCC2)c1.Cc1cnn(C2CCOCC2)c1.Cc1cnn(CC(=O)N2CCCC2)c1.Cc1cnn(CC(=O)O)c1.Cc1cnn(CC(C)C)c1.Cc1cnn(CCN2CCOCC2)c1.Cc1cnn([C@H]2CCNC2)c1.
What is the InChIKey of anisole;tert-butyl 4-(4-methylpyrazol-1-yl)piperidine-1-carboxylate;[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methylphenyl)methanone;1-(2-methoxyethyl)-4-methylpyrazole;2-(methylamino)ethanol;N-methylaniline;4-methyl-1-(2-methylpropyl)pyrazole;4-methyl-1-(oxan-4-yl)pyrazole;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone;2-(4-methylpyrazol-1-yl)acetic acid;4-[2-(4-methylpyrazol-1-yl)ethyl]morpholine;4-(4-methylpyrazol-1-yl)piperidine;1-(4-methylpyrazol-1-yl)propan-2-one;2-(4-methylpyrazol-1-yl)-1-pyrrolidin-1-ylethanone;(3R)-1-methylpyrrolidin-3-ol;4-methyl-1-[(3S)-pyrrolidin-3-yl]pyrazole;propan-2-one;(propan-2-ylideneamino)urea?
The InChIKey is KTEMQEMJQIWRMJ-CABUGYTQSA-N. The full InChI is InChI=1S/C14H23N3O2.C13H18N2O.C12H15NO2.C10H17N3O.C10H15N3O.C9H15N3.C9H14N2O.C8H13N3.C8H14N2.C7H10N2O.C7H12N2O.C7H9N.C7H8O.C6H8N2O2.C5H11NO.C4H9N3O.C3H9NO.C3H6O/c1-11-9-15-17(10-11)12-5-7-16(8-6-12)13(18)19-14(2,3)4;1-11-3-5-12(6-4-11)13(16)15-9-7-14(2)8-10-15;1-9-2-4-10(5-3-9)12(15)13-7-6-11(14)8-13;1-10-8-11-13(9-10)3-2-12-4-6-14-7-5-12;1-9-6-11-13(7-9)8-10(14)12-4-2-3-5-12;1-8-6-11-12(7-8)9-2-4-10-5-3-9;1-8-6-10-11(7-8)9-2-4-12-5-3-9;1-7-4-10-11(6-7)8-2-3-9-5-8;1-7(2)5-10-6-8(3)4-9-10;1-6-3-8-9(4-6)5-7(2)10;1-7-5-8-9(6-7)3-4-10-2;2*1-8-7-5-3-2-4-6-7;1-5-2-7-8(3-5)4-6(9)10;1-6-3-2-5(7)4-6;1-3(2)6-7-4(5)8;1-4-2-3-5;1-3(2)4/h9-10,12H,5-8H2,1-4H3;3-6H,7-10H2,1-2H3;2-5,11,14H,6-8H2,1H3;8-9H,2-7H2,1H3;6-7H,2-5,8H2,1H3;6-7,9-10H,2-5H2,1H3;6-7,9H,2-5H2,1H3;4,6,8-9H,2-3,5H2,1H3;4,6-7H,5H2,1-3H3;3-4H,5H2,1-2H3;5-6H,3-4H2,1-2H3;2-6,8H,1H3;2-6H,1H3;2-3H,4H2,1H3,(H,9,10);5,7H,2-4H2,1H3;1-2H3,(H3,5,7,8);4-5H,2-3H2,1H3;1-2H3/t;;11-;;;;;8-;;;;;;;5-;;;/m..1....0......1.../s1.
What are the key properties of anisole;tert-butyl 4-(4-methylpyrazol-1-yl)piperidine-1-carboxylate;[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methylphenyl)methanone;1-(2-methoxyethyl)-4-methylpyrazole;2-(methylamino)ethanol;N-methylaniline;4-methyl-1-(2-methylpropyl)pyrazole;4-methyl-1-(oxan-4-yl)pyrazole;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone;2-(4-methylpyrazol-1-yl)acetic acid;4-[2-(4-methylpyrazol-1-yl)ethyl]morpholine;4-(4-methylpyrazol-1-yl)piperidine;1-(4-methylpyrazol-1-yl)propan-2-one;2-(4-methylpyrazol-1-yl)-1-pyrrolidin-1-ylethanone;(3R)-1-methylpyrrolidin-3-ol;4-methyl-1-[(3S)-pyrrolidin-3-yl]pyrazole;propan-2-one;(propan-2-ylideneamino)urea?
anisole;tert-butyl 4-(4-methylpyrazol-1-yl)piperidine-1-carboxylate;[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methylphenyl)methanone;1-(2-methoxyethyl)-4-methylpyrazole;2-(methylamino)ethanol;N-methylaniline;4-methyl-1-(2-methylpropyl)pyrazole;4-methyl-1-(oxan-4-yl)pyrazole;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone;2-(4-methylpyrazol-1-yl)acetic acid;4-[2-(4-methylpyrazol-1-yl)ethyl]morpholine;4-(4-methylpyrazol-1-yl)piperidine;1-(4-methylpyrazol-1-yl)propan-2-one;2-(4-methylpyrazol-1-yl)-1-pyrrolidin-1-ylethanone;(3R)-1-methylpyrrolidin-3-ol;4-methyl-1-[(3S)-pyrrolidin-3-yl]pyrazole;propan-2-one;(propan-2-ylideneamino)urea has a molecular weight of 2681.59 g/mol, XLogP of 16.76, 25 rotatable bonds, 10 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for anisole;tert-butyl 4-(4-methylpyrazol-1-yl)piperidine-1-carboxylate;[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methylphenyl)methanone;1-(2-methoxyethyl)-4-methylpyrazole;2-(methylamino)ethanol;N-methylaniline;4-methyl-1-(2-methylpropyl)pyrazole;4-methyl-1-(oxan-4-yl)pyrazole;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone;2-(4-methylpyrazol-1-yl)acetic acid;4-[2-(4-methylpyrazol-1-yl)ethyl]morpholine;4-(4-methylpyrazol-1-yl)piperidine;1-(4-methylpyrazol-1-yl)propan-2-one;2-(4-methylpyrazol-1-yl)-1-pyrrolidin-1-ylethanone;(3R)-1-methylpyrrolidin-3-ol;4-methyl-1-[(3S)-pyrrolidin-3-yl]pyrazole;propan-2-one;(propan-2-ylideneamino)urea is sourced from PubChem (CID 159233461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).