bis(1-benzyl-4-propan-2-ylpyrazole);1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;ethane;4-ethylmorpholine;1-[(1-fluorocyclopentyl)methyl]-4-propan-2-ylpyrazole;1-(4-methylphenyl)-4-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrazole;hexakis(1-methyl-4-propan-2-ylpyrazole);bis(1-phenyl-4-propan-2-ylpyrazole);2-propan-2-ylfuran;3-propan-2-ylfuran;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;3-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;tris(2-propan-2-ylthiophene)

C212H314FN37O3S3 — CID 161202308

IUPACbis(1-benzyl-4-propan-2-ylpyrazole);1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;ethane;4-ethylmorpholine;1-[(1-fluorocyclopentyl)methyl]-4-propan-2-ylpyrazole;1-(4-methylphenyl)-4-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrazole;hexakis(1-methyl-4-propan-2-ylpyrazole);bis(1-phenyl-4-propan-2-ylpyrazole);2-propan-2-ylfuran;3-propan-2-ylfuran;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;3-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;tris(2-propan-2-ylthiophene)
SMILESCC.CC.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1cccs1.CC(C)c1cccs1.CC(C)c1ccn(C)n1.CC(C)c1ccoc1.CC(C)c1cnn(-c2ccccc2)c1.CC(C)c1cnn(-c2ccccc2)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C2CC2)c1.CC(C)c1cnn(CC2(F)CCCC2)c1.CC(C)c1cnn(CC2CC2)c1.CC(C)c1cnn(Cc2ccccc2)c1.CC(C)c1cnn(Cc2ccccc2)c1.CC(C)c1cnn(Cc2ccccn2)c1.CC(C)c1cnn(Cc2cccnc2)c1.CCN1CCOCC1.Cc1ccc(-n2cc(C(C)C)cn2)cc1
InChIInChI=1S/3C13H16N2.C12H19FN2.2C12H15N3.2C12H14N2.C10H16N2.C9H14N2.7C7H12N2.2C7H10O.3C7H10S.C6H13NO.2C2H6/c1-10(2)12-8-14-15(9-12)13-6-4-11(3)5-7-13;2*1-11(2)13-8-14-15(10-13)9-12-6-4-3-5-7-12;1-10(2)11-7-14-15(8-11)9-12(13)5-3-4-6-12;1-10(2)12-7-14-15(9-12)8-11-4-3-5-13-6-11;1-10(2)11-7-14-15(8-11)9-12-5-3-4-6-13-12;2*1-10(2)11-8-13-14(9-11)12-6-4-3-5-7-12;1-8(2)10-5-11-12(7-10)6-9-3-4-9;1-7(2)8-5-10-11(6-8)9-3-4-9;6*1-6(2)7-4-8-9(3)5-7;1-6(2)7-4-5-9(3)8-7;1-6(2)7-3-4-8-5-7;4*1-6(2)7-4-3-5-8-7;1-2-7-3-5-8-6-4-7;2*1-2/h4-10H,1-3H3;2*3-8,10-11H,9H2,1-2H3;7-8,10H,3-6,9H2,1-2H3;3-7,9-10H,8H2,1-2H3;3-8,10H,9H2,1-2H3;2*3-10H,1-2H3;5,7-9H,3-4,6H2,1-2H3;5-7,9H,3-4H2,1-2H3;7*4-6H,1-3H3;5*3-6H,1-2H3;2-6H2,1H3;2*1-2H3
InChIKeyUVDJUCHDYKEQDD-UHFFFAOYSA-N
MW3544.30 g/mol
LogP54.97
Rot. Bonds39

About bis(1-benzyl-4-propan-2-ylpyrazole);1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;ethane;4-ethylmorpholine;1-[(1-fluorocyclopentyl)methyl]-4-propan-2-ylpyrazole;1-(4-methylphenyl)-4-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrazole;hexakis(1-methyl-4-propan-2-ylpyrazole);bis(1-phenyl-4-propan-2-ylpyrazole);2-propan-2-ylfuran;3-propan-2-ylfuran;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;3-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;tris(2-propan-2-ylthiophene)

bis(1-benzyl-4-propan-2-ylpyrazole);1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;ethane;4-ethylmorpholine;1-[(1-fluorocyclopentyl)methyl]-4-propan-2-ylpyrazole;1-(4-methylphenyl)-4-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrazole;hexakis(1-methyl-4-propan-2-ylpyrazole);bis(1-phenyl-4-propan-2-ylpyrazole);2-propan-2-ylfuran;3-propan-2-ylfuran;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;3-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;tris(2-propan-2-ylthiophene) (PubChem CID 161202308) has the molecular formula C212H314FN37O3S3 and a molecular weight of 3544.30 g/mol. Its IUPAC name is bis(1-benzyl-4-propan-2-ylpyrazole);1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;ethane;4-ethylmorpholine;1-[(1-fluorocyclopentyl)methyl]-4-propan-2-ylpyrazole;1-(4-methylphenyl)-4-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrazole;hexakis(1-methyl-4-propan-2-ylpyrazole);bis(1-phenyl-4-propan-2-ylpyrazole);2-propan-2-ylfuran;3-propan-2-ylfuran;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;3-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;tris(2-propan-2-ylthiophene).

Molecular Properties

Compound Namebis(1-benzyl-4-propan-2-ylpyrazole);1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;ethane;4-ethylmorpholine;1-[(1-fluorocyclopentyl)methyl]-4-propan-2-ylpyrazole;1-(4-methylphenyl)-4-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrazole;hexakis(1-methyl-4-propan-2-ylpyrazole);bis(1-phenyl-4-propan-2-ylpyrazole);2-propan-2-ylfuran;3-propan-2-ylfuran;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;3-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;tris(2-propan-2-ylthiophene)
PubChem CID161202308
Molecular FormulaC212H314FN37O3S3
Molecular Weight3544.30 g/mol
Exact Mass3541.47
IUPAC Namebis(1-benzyl-4-propan-2-ylpyrazole);1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;ethane;4-ethylmorpholine;1-[(1-fluorocyclopentyl)methyl]-4-propan-2-ylpyrazole;1-(4-methylphenyl)-4-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrazole;hexakis(1-methyl-4-propan-2-ylpyrazole);bis(1-phenyl-4-propan-2-ylpyrazole);2-propan-2-ylfuran;3-propan-2-ylfuran;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;3-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;tris(2-propan-2-ylthiophene)
SMILESCC.CC.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1cccs1.CC(C)c1cccs1.CC(C)c1ccn(C)n1.CC(C)c1ccoc1.CC(C)c1cnn(-c2ccccc2)c1.CC(C)c1cnn(-c2ccccc2)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C2CC2)c1.CC(C)c1cnn(CC2(F)CCCC2)c1.CC(C)c1cnn(CC2CC2)c1.CC(C)c1cnn(Cc2ccccc2)c1.CC(C)c1cnn(Cc2ccccc2)c1.CC(C)c1cnn(Cc2ccccn2)c1.CC(C)c1cnn(Cc2cccnc2)c1.CCN1CCOCC1.Cc1ccc(-n2cc(C(C)C)cn2)cc1
InChIInChI=1S/3C13H16N2.C12H19FN2.2C12H15N3.2C12H14N2.C10H16N2.C9H14N2.7C7H12N2.2C7H10O.3C7H10S.C6H13NO.2C2H6/c1-10(2)12-8-14-15(9-12)13-6-4-11(3)5-7-13;2*1-11(2)13-8-14-15(10-13)9-12-6-4-3-5-7-12;1-10(2)11-7-14-15(8-11)9-12(13)5-3-4-6-12;1-10(2)12-7-14-15(9-12)8-11-4-3-5-13-6-11;1-10(2)11-7-14-15(8-11)9-12-5-3-4-6-13-12;2*1-10(2)11-8-13-14(9-11)12-6-4-3-5-7-12;1-8(2)10-5-11-12(7-10)6-9-3-4-9;1-7(2)8-5-10-11(6-8)9-3-4-9;6*1-6(2)7-4-8-9(3)5-7;1-6(2)7-4-5-9(3)8-7;1-6(2)7-3-4-8-5-7;4*1-6(2)7-4-3-5-8-7;1-2-7-3-5-8-6-4-7;2*1-2/h4-10H,1-3H3;2*3-8,10-11H,9H2,1-2H3;7-8,10H,3-6,9H2,1-2H3;3-7,9-10H,8H2,1-2H3;3-8,10H,9H2,1-2H3;2*3-10H,1-2H3;5,7-9H,3-4,6H2,1-2H3;5-7,9H,3-4H2,1-2H3;7*4-6H,1-3H3;5*3-6H,1-2H3;2-6H2,1H3;2*1-2H3
InChIKeyUVDJUCHDYKEQDD-UHFFFAOYSA-N
XLogP54.97
TPSA367.47 Ų
H-Bond Donors
H-Bond Acceptors43
Rotatable Bonds39
Heavy Atoms256
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003544.30
LogP ≤ 554.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1043

Analyze bis(1-benzyl-4-propan-2-ylpyrazole);1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;ethane;4-ethylmorpholine;1-[(1-fluorocyclopentyl)methyl]-4-propan-2-ylpyrazole;1-(4-methylphenyl)-4-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrazole;hexakis(1-methyl-4-propan-2-ylpyrazole);bis(1-phenyl-4-propan-2-ylpyrazole);2-propan-2-ylfuran;3-propan-2-ylfuran;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;3-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;tris(2-propan-2-ylthiophene) with MolForge

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Launch Full Analysis

Related Compounds

cumene;2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylindazole;3-propan-2-yl-2H-indazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 157071553
2,3-Di(propan-2-yl)furan;bis(2,3-di(propan-2-yl)pyridine);bis(3,4-di(propan-2-yl)pyridine);2,3-di(propan-2-yl)thiophene;1-methyl-4,5-di(propan-2-yl)pyrazole
CID 157125478
2-(1-benzofuran-7-yl)-1-tert-butylpyrrolidine;2-(1-benzothiophen-2-yl)-1-tert-butylpyrrolidine;2-(1-benzothiophen-7-yl)-1-tert-butylpyrrolidine;1-tert-butyl-2-(3-chlorothiophen-2-yl)pyrrolidine;1-tert-butyl-2-(3-cyclopropylfuran-2-yl)pyrrolidine;1-tert-butyl-2-(3-cyclopropylthiophen-2-yl)pyrrolidine;1-tert-butyl-2-(4-cyclopropylthiophen-2-yl)pyrrolidine;1-tert-butyl-2-phenylpyrrolidine;3-(1-tert-butylpyrrolidin-2-yl)-1-cyclopropylpyrazole;3-(1-tert-butylpyrrolidin-2-yl)-4-cyclopropylpyridine;2-(1-tert-butylpyrrolidin-2-yl)-1-cyclopropylpyrrole;2-(1-tert-butylpyrrolidin-2-yl)pyridine;3-(1-tert-butylpyrrolidin-2-yl)pyridine;2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-propan-2-ylpyrrolidine
CID 157503393
bis(1-benzyl-4-propan-2-ylpyrazole);1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;ethane;4-ethylmorpholine;1-[(1-fluorocyclopentyl)methyl]-4-propan-2-ylpyrazole;1-(4-methylphenyl)-4-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrazole;pentakis(1-methyl-4-propan-2-ylpyrazole);1-methyl-4-propan-2-yl-3H-pyrazol-1-ium;bis(1-phenyl-4-propan-2-ylpyrazole);2-propan-2-ylfuran;3-propan-2-ylfuran;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;3-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;tris(2-propan-2-ylthiophene)
CID 157640581
1,4-Dimethylpyrazole;fluoromethane;2-methylfuran;3-methylfuran;4-methylmorpholine;(4-methylphenyl)methanol;3-methylpyridine;4-methylpyridine;2-methylthiophene;3-methylthiophene
CID 157766325
1-Benzyl-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;ethane;4-ethylmorpholine;1-[(1-fluorocyclopentyl)methyl]-4-propan-2-ylpyrazole;methylcyclobutane;methylcyclopropane;1-(4-methylphenyl)-4-propan-2-ylpyrazole;5-methyl-1-phenyl-4-propan-2-ylpyrazole;tris(1-methyl-4-propan-2-ylpyrazole);bis(1-methyl-3-propan-2-ylpyrrole);2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;3-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;hexakis(2-propan-2-ylthiophene);3-propan-2-ylthiophene;toluene
CID 158059770
Bis(1-benzyl-4-propan-2-ylpyrazole);1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;1-[(1-fluorocyclopentyl)methyl]-4-propan-2-ylpyrazole;1-(4-methylphenyl)-4-propan-2-ylpyrazole;5-methyl-1-phenyl-4-propan-2-ylpyrazole;hexakis(1-methyl-4-propan-2-ylpyrazole);1-phenyl-4-propan-2-ylpyrazole;2-propan-2-ylfuran;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;3-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine
CID 158505683
1,4-Dimethylpyrazole;fluoromethane;tetrakis(1-(fluoromethyl)-4-methylbenzene);1-fluoro-4-methylpyrazole;2-methylfuran;3-methylfuran;3-methylpyridine;4-methylpyridine;2-methylthiophene;3-methylthiophene
CID 158700366
cumene;methane;2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylindazole;3-propan-2-yl-2H-indazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 160067285
(2-benzylpyrrolidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[(2S)-2-(4-fluorophenyl)piperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(2-methylpyrrolidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(2-phenylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(3-phenylpyrrolidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[5-(1H-pyrazol-4-yl)thiophen-3-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 160588158
Cumene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;2-methyl-5-propan-2-yl-1,3-oxazole;3-methyl-1-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-ylthiophene;4-methyl-2-propan-2-yltriazole;propan-2-ylcyclohexane;2-propan-2-ylfuran;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yltriazole
CID 160934943
Cumene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;2-methyl-5-propan-2-yl-1,3-oxazole;5-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-3-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;2-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-ylthiophene;4-methyl-2-propan-2-yltriazole;propan-2-ylcyclohexane;bis(2-propan-2-ylfuran);2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;2-propan-2-yltriazole
CID 161331256

Frequently Asked Questions

What is the IUPAC name of bis(1-benzyl-4-propan-2-ylpyrazole);1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;ethane;4-ethylmorpholine;1-[(1-fluorocyclopentyl)methyl]-4-propan-2-ylpyrazole;1-(4-methylphenyl)-4-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrazole;hexakis(1-methyl-4-propan-2-ylpyrazole);bis(1-phenyl-4-propan-2-ylpyrazole);2-propan-2-ylfuran;3-propan-2-ylfuran;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;3-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;tris(2-propan-2-ylthiophene)?
The IUPAC name of bis(1-benzyl-4-propan-2-ylpyrazole);1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;ethane;4-ethylmorpholine;1-[(1-fluorocyclopentyl)methyl]-4-propan-2-ylpyrazole;1-(4-methylphenyl)-4-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrazole;hexakis(1-methyl-4-propan-2-ylpyrazole);bis(1-phenyl-4-propan-2-ylpyrazole);2-propan-2-ylfuran;3-propan-2-ylfuran;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;3-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;tris(2-propan-2-ylthiophene) (CID 161202308) is bis(1-benzyl-4-propan-2-ylpyrazole);1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;ethane;4-ethylmorpholine;1-[(1-fluorocyclopentyl)methyl]-4-propan-2-ylpyrazole;1-(4-methylphenyl)-4-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrazole;hexakis(1-methyl-4-propan-2-ylpyrazole);bis(1-phenyl-4-propan-2-ylpyrazole);2-propan-2-ylfuran;3-propan-2-ylfuran;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;3-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;tris(2-propan-2-ylthiophene).
What is the SMILES notation for bis(1-benzyl-4-propan-2-ylpyrazole);1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;ethane;4-ethylmorpholine;1-[(1-fluorocyclopentyl)methyl]-4-propan-2-ylpyrazole;1-(4-methylphenyl)-4-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrazole;hexakis(1-methyl-4-propan-2-ylpyrazole);bis(1-phenyl-4-propan-2-ylpyrazole);2-propan-2-ylfuran;3-propan-2-ylfuran;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;3-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;tris(2-propan-2-ylthiophene)?
The canonical SMILES for bis(1-benzyl-4-propan-2-ylpyrazole);1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;ethane;4-ethylmorpholine;1-[(1-fluorocyclopentyl)methyl]-4-propan-2-ylpyrazole;1-(4-methylphenyl)-4-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrazole;hexakis(1-methyl-4-propan-2-ylpyrazole);bis(1-phenyl-4-propan-2-ylpyrazole);2-propan-2-ylfuran;3-propan-2-ylfuran;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;3-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;tris(2-propan-2-ylthiophene) is CC.CC.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1cccs1.CC(C)c1cccs1.CC(C)c1ccn(C)n1.CC(C)c1ccoc1.CC(C)c1cnn(-c2ccccc2)c1.CC(C)c1cnn(-c2ccccc2)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C2CC2)c1.CC(C)c1cnn(CC2(F)CCCC2)c1.CC(C)c1cnn(CC2CC2)c1.CC(C)c1cnn(Cc2ccccc2)c1.CC(C)c1cnn(Cc2ccccc2)c1.CC(C)c1cnn(Cc2ccccn2)c1.CC(C)c1cnn(Cc2cccnc2)c1.CCN1CCOCC1.Cc1ccc(-n2cc(C(C)C)cn2)cc1.
What is the InChIKey of bis(1-benzyl-4-propan-2-ylpyrazole);1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;ethane;4-ethylmorpholine;1-[(1-fluorocyclopentyl)methyl]-4-propan-2-ylpyrazole;1-(4-methylphenyl)-4-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrazole;hexakis(1-methyl-4-propan-2-ylpyrazole);bis(1-phenyl-4-propan-2-ylpyrazole);2-propan-2-ylfuran;3-propan-2-ylfuran;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;3-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;tris(2-propan-2-ylthiophene)?
The InChIKey is UVDJUCHDYKEQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/3C13H16N2.C12H19FN2.2C12H15N3.2C12H14N2.C10H16N2.C9H14N2.7C7H12N2.2C7H10O.3C7H10S.C6H13NO.2C2H6/c1-10(2)12-8-14-15(9-12)13-6-4-11(3)5-7-13;2*1-11(2)13-8-14-15(10-13)9-12-6-4-3-5-7-12;1-10(2)11-7-14-15(8-11)9-12(13)5-3-4-6-12;1-10(2)12-7-14-15(9-12)8-11-4-3-5-13-6-11;1-10(2)11-7-14-15(8-11)9-12-5-3-4-6-13-12;2*1-10(2)11-8-13-14(9-11)12-6-4-3-5-7-12;1-8(2)10-5-11-12(7-10)6-9-3-4-9;1-7(2)8-5-10-11(6-8)9-3-4-9;6*1-6(2)7-4-8-9(3)5-7;1-6(2)7-4-5-9(3)8-7;1-6(2)7-3-4-8-5-7;4*1-6(2)7-4-3-5-8-7;1-2-7-3-5-8-6-4-7;2*1-2/h4-10H,1-3H3;2*3-8,10-11H,9H2,1-2H3;7-8,10H,3-6,9H2,1-2H3;3-7,9-10H,8H2,1-2H3;3-8,10H,9H2,1-2H3;2*3-10H,1-2H3;5,7-9H,3-4,6H2,1-2H3;5-7,9H,3-4H2,1-2H3;7*4-6H,1-3H3;5*3-6H,1-2H3;2-6H2,1H3;2*1-2H3.
What are the key properties of bis(1-benzyl-4-propan-2-ylpyrazole);1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;ethane;4-ethylmorpholine;1-[(1-fluorocyclopentyl)methyl]-4-propan-2-ylpyrazole;1-(4-methylphenyl)-4-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrazole;hexakis(1-methyl-4-propan-2-ylpyrazole);bis(1-phenyl-4-propan-2-ylpyrazole);2-propan-2-ylfuran;3-propan-2-ylfuran;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;3-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;tris(2-propan-2-ylthiophene)?
bis(1-benzyl-4-propan-2-ylpyrazole);1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;ethane;4-ethylmorpholine;1-[(1-fluorocyclopentyl)methyl]-4-propan-2-ylpyrazole;1-(4-methylphenyl)-4-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrazole;hexakis(1-methyl-4-propan-2-ylpyrazole);bis(1-phenyl-4-propan-2-ylpyrazole);2-propan-2-ylfuran;3-propan-2-ylfuran;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;3-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;tris(2-propan-2-ylthiophene) has a molecular weight of 3544.30 g/mol, XLogP of 54.97, 39 rotatable bonds, 0 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-benzyl-4-propan-2-ylpyrazole);1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;ethane;4-ethylmorpholine;1-[(1-fluorocyclopentyl)methyl]-4-propan-2-ylpyrazole;1-(4-methylphenyl)-4-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrazole;hexakis(1-methyl-4-propan-2-ylpyrazole);bis(1-phenyl-4-propan-2-ylpyrazole);2-propan-2-ylfuran;3-propan-2-ylfuran;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;3-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;tris(2-propan-2-ylthiophene) is sourced from PubChem (CID 161202308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).