4-tert-butyl-1-cyclobutylpyrazole;4-tert-butyl-7H-cyclopenta[b]pyridine;4-tert-butyl-1-(2,2-dimethylpropyl)pyrazole;2-tert-butyl-5-ethylthiophene;5-tert-butyl-1H-indene;4-tert-butyl-1-(2-methylbutan-2-yl)pyrazole;4-tert-butyl-1-propylpyrazole;6-tert-butylpyrazolo[1,5-a]pyrimidine;1-(4-tert-butylpyrazol-1-yl)propan-2-one;1-(5-tert-butylthiophen-3-yl)ethanone;N-[(5-tert-butylthiophen-2-yl)methyl]acetamide;4-[(5-tert-butylthiophen-2-yl)methyl]morpholine;1-[(5-tert-butylthiophen-2-yl)methyl]piperazine

C147H230N18O4S5 — CID 157188705

IUPAC4-tert-butyl-1-cyclobutylpyrazole;4-tert-butyl-7H-cyclopenta[b]pyridine;4-tert-butyl-1-(2,2-dimethylpropyl)pyrazole;2-tert-butyl-5-ethylthiophene;5-tert-butyl-1H-indene;4-tert-butyl-1-(2-methylbutan-2-yl)pyrazole;4-tert-butyl-1-propylpyrazole;6-tert-butylpyrazolo[1,5-a]pyrimidine;1-(4-tert-butylpyrazol-1-yl)propan-2-one;1-(5-tert-butylthiophen-3-yl)ethanone;N-[(5-tert-butylthiophen-2-yl)methyl]acetamide;4-[(5-tert-butylthiophen-2-yl)methyl]morpholine;1-[(5-tert-butylthiophen-2-yl)methyl]piperazine
SMILESCC(=O)Cn1cc(C(C)(C)C)cn1.CC(=O)NCc1ccc(C(C)(C)C)s1.CC(=O)c1csc(C(C)(C)C)c1.CC(C)(C)Cn1cc(C(C)(C)C)cn1.CC(C)(C)c1ccc(CN2CCNCC2)s1.CC(C)(C)c1ccc(CN2CCOCC2)s1.CC(C)(C)c1ccc2c(c1)C=CC2.CC(C)(C)c1ccnc2c1C=CC2.CC(C)(C)c1cnc2ccnn2c1.CC(C)(C)c1cnn(C2CCC2)c1.CCC(C)(C)n1cc(C(C)(C)C)cn1.CCCn1cc(C(C)(C)C)cn1.CCc1ccc(C(C)(C)C)s1
InChIInChI=1S/C13H22N2S.C13H21NOS.C13H16.2C12H22N2.C12H15N.C11H18N2.C11H17NOS.C10H13N3.C10H16N2O.C10H18N2.C10H14OS.C10H16S/c1-13(2,3)12-5-4-11(16-12)10-15-8-6-14-7-9-15;1-13(2,3)12-5-4-11(16-12)10-14-6-8-15-9-7-14;1-13(2,3)12-8-7-10-5-4-6-11(10)9-12;1-11(2,3)9-14-8-10(7-13-14)12(4,5)6;1-7-12(5,6)14-9-10(8-13-14)11(2,3)4;1-12(2,3)10-7-8-13-11-6-4-5-9(10)11;1-11(2,3)9-7-12-13(8-9)10-5-4-6-10;1-8(13)12-7-9-5-6-10(14-9)11(2,3)4;1-10(2,3)8-6-11-9-4-5-12-13(9)7-8;1-8(13)6-12-7-9(5-11-12)10(2,3)4;1-5-6-12-8-9(7-11-12)10(2,3)4;1-7(11)8-5-9(12-6-8)10(2,3)4;1-5-8-6-7-9(11-8)10(2,3)4/h4-5,14H,6-10H2,1-3H3;4-5H,6-10H2,1-3H3;4,6-9H,5H2,1-3H3;7-8H,9H2,1-6H3;8-9H,7H2,1-6H3;4-5,7-8H,6H2,1-3H3;7-8,10H,4-6H2,1-3H3;5-6H,7H2,1-4H3,(H,12,13);4-7H,1-3H3;5,7H,6H2,1-4H3;7-8H,5-6H2,1-4H3;5-6H,1-4H3;6-7H,5H2,1-4H3
InChIKeyAPKZRWMPYSFBGX-UHFFFAOYSA-N
MW2473.91 g/mol
LogP37.21
Rot. Bonds16

About 4-tert-butyl-1-cyclobutylpyrazole;4-tert-butyl-7H-cyclopenta[b]pyridine;4-tert-butyl-1-(2,2-dimethylpropyl)pyrazole;2-tert-butyl-5-ethylthiophene;5-tert-butyl-1H-indene;4-tert-butyl-1-(2-methylbutan-2-yl)pyrazole;4-tert-butyl-1-propylpyrazole;6-tert-butylpyrazolo[1,5-a]pyrimidine;1-(4-tert-butylpyrazol-1-yl)propan-2-one;1-(5-tert-butylthiophen-3-yl)ethanone;N-[(5-tert-butylthiophen-2-yl)methyl]acetamide;4-[(5-tert-butylthiophen-2-yl)methyl]morpholine;1-[(5-tert-butylthiophen-2-yl)methyl]piperazine

4-tert-butyl-1-cyclobutylpyrazole;4-tert-butyl-7H-cyclopenta[b]pyridine;4-tert-butyl-1-(2,2-dimethylpropyl)pyrazole;2-tert-butyl-5-ethylthiophene;5-tert-butyl-1H-indene;4-tert-butyl-1-(2-methylbutan-2-yl)pyrazole;4-tert-butyl-1-propylpyrazole;6-tert-butylpyrazolo[1,5-a]pyrimidine;1-(4-tert-butylpyrazol-1-yl)propan-2-one;1-(5-tert-butylthiophen-3-yl)ethanone;N-[(5-tert-butylthiophen-2-yl)methyl]acetamide;4-[(5-tert-butylthiophen-2-yl)methyl]morpholine;1-[(5-tert-butylthiophen-2-yl)methyl]piperazine (PubChem CID 157188705) has the molecular formula C147H230N18O4S5 and a molecular weight of 2473.91 g/mol. Its IUPAC name is 4-tert-butyl-1-cyclobutylpyrazole;4-tert-butyl-7H-cyclopenta[b]pyridine;4-tert-butyl-1-(2,2-dimethylpropyl)pyrazole;2-tert-butyl-5-ethylthiophene;5-tert-butyl-1H-indene;4-tert-butyl-1-(2-methylbutan-2-yl)pyrazole;4-tert-butyl-1-propylpyrazole;6-tert-butylpyrazolo[1,5-a]pyrimidine;1-(4-tert-butylpyrazol-1-yl)propan-2-one;1-(5-tert-butylthiophen-3-yl)ethanone;N-[(5-tert-butylthiophen-2-yl)methyl]acetamide;4-[(5-tert-butylthiophen-2-yl)methyl]morpholine;1-[(5-tert-butylthiophen-2-yl)methyl]piperazine.

Molecular Properties

Compound Name4-tert-butyl-1-cyclobutylpyrazole;4-tert-butyl-7H-cyclopenta[b]pyridine;4-tert-butyl-1-(2,2-dimethylpropyl)pyrazole;2-tert-butyl-5-ethylthiophene;5-tert-butyl-1H-indene;4-tert-butyl-1-(2-methylbutan-2-yl)pyrazole;4-tert-butyl-1-propylpyrazole;6-tert-butylpyrazolo[1,5-a]pyrimidine;1-(4-tert-butylpyrazol-1-yl)propan-2-one;1-(5-tert-butylthiophen-3-yl)ethanone;N-[(5-tert-butylthiophen-2-yl)methyl]acetamide;4-[(5-tert-butylthiophen-2-yl)methyl]morpholine;1-[(5-tert-butylthiophen-2-yl)methyl]piperazine
PubChem CID157188705
Molecular FormulaC147H230N18O4S5
Molecular Weight2473.91 g/mol
Exact Mass2471.70
IUPAC Name4-tert-butyl-1-cyclobutylpyrazole;4-tert-butyl-7H-cyclopenta[b]pyridine;4-tert-butyl-1-(2,2-dimethylpropyl)pyrazole;2-tert-butyl-5-ethylthiophene;5-tert-butyl-1H-indene;4-tert-butyl-1-(2-methylbutan-2-yl)pyrazole;4-tert-butyl-1-propylpyrazole;6-tert-butylpyrazolo[1,5-a]pyrimidine;1-(4-tert-butylpyrazol-1-yl)propan-2-one;1-(5-tert-butylthiophen-3-yl)ethanone;N-[(5-tert-butylthiophen-2-yl)methyl]acetamide;4-[(5-tert-butylthiophen-2-yl)methyl]morpholine;1-[(5-tert-butylthiophen-2-yl)methyl]piperazine
SMILESCC(=O)Cn1cc(C(C)(C)C)cn1.CC(=O)NCc1ccc(C(C)(C)C)s1.CC(=O)c1csc(C(C)(C)C)c1.CC(C)(C)Cn1cc(C(C)(C)C)cn1.CC(C)(C)c1ccc(CN2CCNCC2)s1.CC(C)(C)c1ccc(CN2CCOCC2)s1.CC(C)(C)c1ccc2c(c1)C=CC2.CC(C)(C)c1ccnc2c1C=CC2.CC(C)(C)c1cnc2ccnn2c1.CC(C)(C)c1cnn(C2CCC2)c1.CCC(C)(C)n1cc(C(C)(C)C)cn1.CCCn1cc(C(C)(C)C)cn1.CCc1ccc(C(C)(C)C)s1
InChIInChI=1S/C13H22N2S.C13H21NOS.C13H16.2C12H22N2.C12H15N.C11H18N2.C11H17NOS.C10H13N3.C10H16N2O.C10H18N2.C10H14OS.C10H16S/c1-13(2,3)12-5-4-11(16-12)10-15-8-6-14-7-9-15;1-13(2,3)12-5-4-11(16-12)10-14-6-8-15-9-7-14;1-13(2,3)12-8-7-10-5-4-6-11(10)9-12;1-11(2,3)9-14-8-10(7-13-14)12(4,5)6;1-7-12(5,6)14-9-10(8-13-14)11(2,3)4;1-12(2,3)10-7-8-13-11-6-4-5-9(10)11;1-11(2,3)9-7-12-13(8-9)10-5-4-6-10;1-8(13)12-7-9-5-6-10(14-9)11(2,3)4;1-10(2,3)8-6-11-9-4-5-12-13(9)7-8;1-8(13)6-12-7-9(5-11-12)10(2,3)4;1-5-6-12-8-9(7-11-12)10(2,3)4;1-7(11)8-5-9(12-6-8)10(2,3)4;1-5-8-6-7-9(11-8)10(2,3)4/h4-5,14H,6-10H2,1-3H3;4-5H,6-10H2,1-3H3;4,6-9H,5H2,1-3H3;7-8H,9H2,1-6H3;8-9H,7H2,1-6H3;4-5,7-8H,6H2,1-3H3;7-8,10H,4-6H2,1-3H3;5-6H,7H2,1-4H3,(H,12,13);4-7H,1-3H3;5,7H,6H2,1-4H3;7-8H,5-6H2,1-4H3;5-6H,1-4H3;6-7H,5H2,1-4H3
InChIKeyAPKZRWMPYSFBGX-UHFFFAOYSA-N
XLogP37.21
TPSA223.16 Ų
H-Bond Donors2
H-Bond Acceptors26
Rotatable Bonds16
Heavy Atoms174
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002473.91
LogP ≤ 537.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1026

Analyze 4-tert-butyl-1-cyclobutylpyrazole;4-tert-butyl-7H-cyclopenta[b]pyridine;4-tert-butyl-1-(2,2-dimethylpropyl)pyrazole;2-tert-butyl-5-ethylthiophene;5-tert-butyl-1H-indene;4-tert-butyl-1-(2-methylbutan-2-yl)pyrazole;4-tert-butyl-1-propylpyrazole;6-tert-butylpyrazolo[1,5-a]pyrimidine;1-(4-tert-butylpyrazol-1-yl)propan-2-one;1-(5-tert-butylthiophen-3-yl)ethanone;N-[(5-tert-butylthiophen-2-yl)methyl]acetamide;4-[(5-tert-butylthiophen-2-yl)methyl]morpholine;1-[(5-tert-butylthiophen-2-yl)methyl]piperazine with MolForge

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Related Compounds

US10100058, Example 211
CID 134539877
US10100058, Example 293
CID 134539456
US10100058, Example 342
CID 134539515
US10100058, Example 164
CID 134539525
US10100058, Example 223
CID 134539602
US10100058, Example 253
CID 134540115
US10100058, Example 337
CID 134540218
(4Z)-4-[[7-(cyclopropylamino)-5-[5-(4,4-difluoropiperidine-1-carbonyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[5-(2,5-dihydropyrrole-1-carbonyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[5-(3-fluoroazetidine-1-carbonyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;5-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide;(4Z)-4-[[7-(cyclopropylamino)-5-[5-(3-methylpyrrolidine-1-carbonyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one
CID 157779490
(4Z)-4-[[7-(cyclopropylamino)-5-[5-(4,4-difluoropiperidine-1-carbonyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[5-(3-fluoroazetidine-1-carbonyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;5-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(pyrrolidin-1-ylmethyl)thiophene-2-carboxamide;(4Z)-4-[[7-(cyclopropylamino)-5-[5-(3-methylpyrrolidine-1-carbonyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one
CID 158482840
5-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylthiophene-2-carboxamide;N,N-dimethyl-5-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)thiophene-2-carboxamide;N,N-dimethyl-5-[5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]thiophene-2-carboxamide;N,N-dimethyl-4-[1-pyridin-2-yl-5-(trifluoromethyl)pyrazol-3-yl]benzamide;N,N-dimethyl-5-[1-pyridin-2-yl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carboxamide;N,N-dimethyl-5-[1-pyridin-2-yl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 159908694
2-(4-cyclopropyltriazol-1-yl)-5-propan-2-ylpyrimidine;2,4-dimethyl-5-propan-2-ylpyrimidine;N-methyl-N-(oxan-4-yl)-5-propan-2-ylpyrimidin-2-amine;2-[methyl-(5-propan-2-ylpyrimidin-2-yl)amino]acetamide;2-methyl-4-(5-propan-2-ylpyrimidin-2-yl)-3H-isoindol-1-one;2-phenyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-(4-propan-2-yltriazol-1-yl)pyrimidine;N-(5-propan-2-ylpyrimidin-2-yl)acetamide;4-(5-propan-2-ylpyrimidin-2-yl)benzamide;N-(5-propan-2-ylpyrimidin-2-yl)benzamide;4-(5-propan-2-ylpyrimidin-2-yl)-2,3-dihydroisoindol-1-one;4-[(5-propan-2-ylpyrimidin-2-yl)methyl]morpholine;3-(5-propan-2-ylpyrimidin-2-yl)propanamide;N-(5-propan-2-ylpyrimidin-2-yl)thiophene-2-carboxamide;5-propan-2-yl-2-[4-(trifluoromethyl)triazol-1-yl]pyrimidine
CID 160181848
4-(azetidin-1-yl)-2-methyl-5-propan-2-ylpyrimidine;2,4-dimethyl-5-propan-2-ylpyrimidine;4-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)morpholine;2-[(2-methyl-5-propan-2-ylpyrimidin-4-yl)amino]acetamide;2-methyl-4-(5-propan-2-ylpyrimidin-2-yl)-3H-isoindol-1-one;4-(4-methyl-5-propan-2-ylpyrimidin-2-yl)piperazin-2-one;2-phenyl-5-propan-2-ylthiophene;4-propan-2-yl-2-pyridin-4-yl-1,3-thiazole;4-(5-propan-2-ylpyrimidin-2-yl)-2,3-dihydroisoindol-1-one;4-[5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-yl]piperazin-2-one;1-[4-[5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone;2-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 160561814

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-cyclobutylpyrazole;4-tert-butyl-7H-cyclopenta[b]pyridine;4-tert-butyl-1-(2,2-dimethylpropyl)pyrazole;2-tert-butyl-5-ethylthiophene;5-tert-butyl-1H-indene;4-tert-butyl-1-(2-methylbutan-2-yl)pyrazole;4-tert-butyl-1-propylpyrazole;6-tert-butylpyrazolo[1,5-a]pyrimidine;1-(4-tert-butylpyrazol-1-yl)propan-2-one;1-(5-tert-butylthiophen-3-yl)ethanone;N-[(5-tert-butylthiophen-2-yl)methyl]acetamide;4-[(5-tert-butylthiophen-2-yl)methyl]morpholine;1-[(5-tert-butylthiophen-2-yl)methyl]piperazine?
The IUPAC name of 4-tert-butyl-1-cyclobutylpyrazole;4-tert-butyl-7H-cyclopenta[b]pyridine;4-tert-butyl-1-(2,2-dimethylpropyl)pyrazole;2-tert-butyl-5-ethylthiophene;5-tert-butyl-1H-indene;4-tert-butyl-1-(2-methylbutan-2-yl)pyrazole;4-tert-butyl-1-propylpyrazole;6-tert-butylpyrazolo[1,5-a]pyrimidine;1-(4-tert-butylpyrazol-1-yl)propan-2-one;1-(5-tert-butylthiophen-3-yl)ethanone;N-[(5-tert-butylthiophen-2-yl)methyl]acetamide;4-[(5-tert-butylthiophen-2-yl)methyl]morpholine;1-[(5-tert-butylthiophen-2-yl)methyl]piperazine (CID 157188705) is 4-tert-butyl-1-cyclobutylpyrazole;4-tert-butyl-7H-cyclopenta[b]pyridine;4-tert-butyl-1-(2,2-dimethylpropyl)pyrazole;2-tert-butyl-5-ethylthiophene;5-tert-butyl-1H-indene;4-tert-butyl-1-(2-methylbutan-2-yl)pyrazole;4-tert-butyl-1-propylpyrazole;6-tert-butylpyrazolo[1,5-a]pyrimidine;1-(4-tert-butylpyrazol-1-yl)propan-2-one;1-(5-tert-butylthiophen-3-yl)ethanone;N-[(5-tert-butylthiophen-2-yl)methyl]acetamide;4-[(5-tert-butylthiophen-2-yl)methyl]morpholine;1-[(5-tert-butylthiophen-2-yl)methyl]piperazine.
What is the SMILES notation for 4-tert-butyl-1-cyclobutylpyrazole;4-tert-butyl-7H-cyclopenta[b]pyridine;4-tert-butyl-1-(2,2-dimethylpropyl)pyrazole;2-tert-butyl-5-ethylthiophene;5-tert-butyl-1H-indene;4-tert-butyl-1-(2-methylbutan-2-yl)pyrazole;4-tert-butyl-1-propylpyrazole;6-tert-butylpyrazolo[1,5-a]pyrimidine;1-(4-tert-butylpyrazol-1-yl)propan-2-one;1-(5-tert-butylthiophen-3-yl)ethanone;N-[(5-tert-butylthiophen-2-yl)methyl]acetamide;4-[(5-tert-butylthiophen-2-yl)methyl]morpholine;1-[(5-tert-butylthiophen-2-yl)methyl]piperazine?
The canonical SMILES for 4-tert-butyl-1-cyclobutylpyrazole;4-tert-butyl-7H-cyclopenta[b]pyridine;4-tert-butyl-1-(2,2-dimethylpropyl)pyrazole;2-tert-butyl-5-ethylthiophene;5-tert-butyl-1H-indene;4-tert-butyl-1-(2-methylbutan-2-yl)pyrazole;4-tert-butyl-1-propylpyrazole;6-tert-butylpyrazolo[1,5-a]pyrimidine;1-(4-tert-butylpyrazol-1-yl)propan-2-one;1-(5-tert-butylthiophen-3-yl)ethanone;N-[(5-tert-butylthiophen-2-yl)methyl]acetamide;4-[(5-tert-butylthiophen-2-yl)methyl]morpholine;1-[(5-tert-butylthiophen-2-yl)methyl]piperazine is CC(=O)Cn1cc(C(C)(C)C)cn1.CC(=O)NCc1ccc(C(C)(C)C)s1.CC(=O)c1csc(C(C)(C)C)c1.CC(C)(C)Cn1cc(C(C)(C)C)cn1.CC(C)(C)c1ccc(CN2CCNCC2)s1.CC(C)(C)c1ccc(CN2CCOCC2)s1.CC(C)(C)c1ccc2c(c1)C=CC2.CC(C)(C)c1ccnc2c1C=CC2.CC(C)(C)c1cnc2ccnn2c1.CC(C)(C)c1cnn(C2CCC2)c1.CCC(C)(C)n1cc(C(C)(C)C)cn1.CCCn1cc(C(C)(C)C)cn1.CCc1ccc(C(C)(C)C)s1.
What is the InChIKey of 4-tert-butyl-1-cyclobutylpyrazole;4-tert-butyl-7H-cyclopenta[b]pyridine;4-tert-butyl-1-(2,2-dimethylpropyl)pyrazole;2-tert-butyl-5-ethylthiophene;5-tert-butyl-1H-indene;4-tert-butyl-1-(2-methylbutan-2-yl)pyrazole;4-tert-butyl-1-propylpyrazole;6-tert-butylpyrazolo[1,5-a]pyrimidine;1-(4-tert-butylpyrazol-1-yl)propan-2-one;1-(5-tert-butylthiophen-3-yl)ethanone;N-[(5-tert-butylthiophen-2-yl)methyl]acetamide;4-[(5-tert-butylthiophen-2-yl)methyl]morpholine;1-[(5-tert-butylthiophen-2-yl)methyl]piperazine?
The InChIKey is APKZRWMPYSFBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S.C13H21NOS.C13H16.2C12H22N2.C12H15N.C11H18N2.C11H17NOS.C10H13N3.C10H16N2O.C10H18N2.C10H14OS.C10H16S/c1-13(2,3)12-5-4-11(16-12)10-15-8-6-14-7-9-15;1-13(2,3)12-5-4-11(16-12)10-14-6-8-15-9-7-14;1-13(2,3)12-8-7-10-5-4-6-11(10)9-12;1-11(2,3)9-14-8-10(7-13-14)12(4,5)6;1-7-12(5,6)14-9-10(8-13-14)11(2,3)4;1-12(2,3)10-7-8-13-11-6-4-5-9(10)11;1-11(2,3)9-7-12-13(8-9)10-5-4-6-10;1-8(13)12-7-9-5-6-10(14-9)11(2,3)4;1-10(2,3)8-6-11-9-4-5-12-13(9)7-8;1-8(13)6-12-7-9(5-11-12)10(2,3)4;1-5-6-12-8-9(7-11-12)10(2,3)4;1-7(11)8-5-9(12-6-8)10(2,3)4;1-5-8-6-7-9(11-8)10(2,3)4/h4-5,14H,6-10H2,1-3H3;4-5H,6-10H2,1-3H3;4,6-9H,5H2,1-3H3;7-8H,9H2,1-6H3;8-9H,7H2,1-6H3;4-5,7-8H,6H2,1-3H3;7-8,10H,4-6H2,1-3H3;5-6H,7H2,1-4H3,(H,12,13);4-7H,1-3H3;5,7H,6H2,1-4H3;7-8H,5-6H2,1-4H3;5-6H,1-4H3;6-7H,5H2,1-4H3.
What are the key properties of 4-tert-butyl-1-cyclobutylpyrazole;4-tert-butyl-7H-cyclopenta[b]pyridine;4-tert-butyl-1-(2,2-dimethylpropyl)pyrazole;2-tert-butyl-5-ethylthiophene;5-tert-butyl-1H-indene;4-tert-butyl-1-(2-methylbutan-2-yl)pyrazole;4-tert-butyl-1-propylpyrazole;6-tert-butylpyrazolo[1,5-a]pyrimidine;1-(4-tert-butylpyrazol-1-yl)propan-2-one;1-(5-tert-butylthiophen-3-yl)ethanone;N-[(5-tert-butylthiophen-2-yl)methyl]acetamide;4-[(5-tert-butylthiophen-2-yl)methyl]morpholine;1-[(5-tert-butylthiophen-2-yl)methyl]piperazine?
4-tert-butyl-1-cyclobutylpyrazole;4-tert-butyl-7H-cyclopenta[b]pyridine;4-tert-butyl-1-(2,2-dimethylpropyl)pyrazole;2-tert-butyl-5-ethylthiophene;5-tert-butyl-1H-indene;4-tert-butyl-1-(2-methylbutan-2-yl)pyrazole;4-tert-butyl-1-propylpyrazole;6-tert-butylpyrazolo[1,5-a]pyrimidine;1-(4-tert-butylpyrazol-1-yl)propan-2-one;1-(5-tert-butylthiophen-3-yl)ethanone;N-[(5-tert-butylthiophen-2-yl)methyl]acetamide;4-[(5-tert-butylthiophen-2-yl)methyl]morpholine;1-[(5-tert-butylthiophen-2-yl)methyl]piperazine has a molecular weight of 2473.91 g/mol, XLogP of 37.21, 16 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-cyclobutylpyrazole;4-tert-butyl-7H-cyclopenta[b]pyridine;4-tert-butyl-1-(2,2-dimethylpropyl)pyrazole;2-tert-butyl-5-ethylthiophene;5-tert-butyl-1H-indene;4-tert-butyl-1-(2-methylbutan-2-yl)pyrazole;4-tert-butyl-1-propylpyrazole;6-tert-butylpyrazolo[1,5-a]pyrimidine;1-(4-tert-butylpyrazol-1-yl)propan-2-one;1-(5-tert-butylthiophen-3-yl)ethanone;N-[(5-tert-butylthiophen-2-yl)methyl]acetamide;4-[(5-tert-butylthiophen-2-yl)methyl]morpholine;1-[(5-tert-butylthiophen-2-yl)methyl]piperazine is sourced from PubChem (CID 157188705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).