5-tert-butyl-2-ethyltetrazole;N-cyclopropyl-4-propan-2-ylbenzamide;1-(difluoromethoxy)-4-propan-2-ylbenzene;1-(3-fluoro-3-methylazetidin-1-yl)-2-(4-propan-2-ylpyrazol-1-yl)ethanone;bis(2-fluoro-1-methyl-4-propan-2-ylbenzene);3-fluoro-2-methyl-5-propan-2-ylpyridine;1-(3-fluoro-3-methylpyrrolidin-1-yl)-2-(4-propan-2-ylpyrazol-1-yl)ethanone;1-methyl-2-methylidene-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;2-methyl-4-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyrimidine;1-methylsulfonyl-4-propan-2-ylbenzene;1-(4-propan-2-ylphenyl)piperidine;2-(4-propan-2-ylphenyl)propan-2-ol;4-propan-2-yl-1-(trideuteriomethyl)pyrazole

C186H269F7N20O8S — CID 158048892

IUPAC5-tert-butyl-2-ethyltetrazole;N-cyclopropyl-4-propan-2-ylbenzamide;1-(difluoromethoxy)-4-propan-2-ylbenzene;1-(3-fluoro-3-methylazetidin-1-yl)-2-(4-propan-2-ylpyrazol-1-yl)ethanone;bis(2-fluoro-1-methyl-4-propan-2-ylbenzene);3-fluoro-2-methyl-5-propan-2-ylpyridine;1-(3-fluoro-3-methylpyrrolidin-1-yl)-2-(4-propan-2-ylpyrazol-1-yl)ethanone;1-methyl-2-methylidene-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;2-methyl-4-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyrimidine;1-methylsulfonyl-4-propan-2-ylbenzene;1-(4-propan-2-ylphenyl)piperidine;2-(4-propan-2-ylphenyl)propan-2-ol;4-propan-2-yl-1-(trideuteriomethyl)pyrazole
SMILESC=C1C=CC(C(C)C)=CN1C.CC(C)c1ccc(C(=O)NC2CC2)cc1.CC(C)c1ccc(C(C)(C)O)cc1.CC(C)c1ccc(N2CCCCC2)cc1.CC(C)c1ccc(OC(F)F)cc1.CC(C)c1ccc(S(C)(=O)=O)cc1.CC(C)c1ccc2c(c1)OCCN2C.CC(C)c1cnn(CC(=O)N2CC(C)(F)C2)c1.CC(C)c1cnn(CC(=O)N2CCC(C)(F)C2)c1.CCn1nnc(C(C)(C)C)n1.Cc1cc(C(C)C)ccn1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1F.Cc1ccc(C(C)C)cc1F.Cc1cccc(C(C)C)c1.Cc1cnc(C(C)C)nc1.Cc1ncc(C(C)C)cc1F.[2H]C([2H])([2H])n1cc(C(C)C)cn1
InChIInChI=1S/C14H21N.C13H20FN3O.C13H17NO.C12H18FN3O.C12H17NO.C12H18O.C10H12F2O.2C10H13F.C10H15N.C10H14O2S.2C10H14.C9H12FN.C9H13N.C8H12N2.C7H14N4.C7H12N2/c1-12(2)13-6-8-14(9-7-13)15-10-4-3-5-11-15;1-10(2)11-6-15-17(7-11)8-12(18)16-5-4-13(3,14)9-16;1-9(2)10-3-5-11(6-4-10)13(15)14-12-7-8-12;1-9(2)10-4-14-16(5-10)6-11(17)15-7-12(3,13)8-15;1-9(2)10-4-5-11-12(8-10)14-7-6-13(11)3;1-9(2)10-5-7-11(8-6-10)12(3,4)13;1-7(2)8-3-5-9(6-4-8)13-10(11)12;2*1-7(2)9-5-4-8(3)10(11)6-9;1-8(2)10-6-5-9(3)11(4)7-10;1-8(2)9-4-6-10(7-5-9)13(3,11)12;1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-6-4-5-9(3)7-10;1-6(2)8-4-9(10)7(3)11-5-8;1-7(2)9-4-5-10-8(3)6-9;1-6(2)8-9-4-7(3)5-10-8;1-5-11-9-6(8-10-11)7(2,3)4;1-6(2)7-4-8-9(3)5-7/h6-9,12H,3-5,10-11H2,1-2H3;6-7,10H,4-5,8-9H2,1-3H3;3-6,9,12H,7-8H2,1-2H3,(H,14,15);4-5,9H,6-8H2,1-3H3;4-5,8-9H,6-7H2,1-3H3;5-9,13H,1-4H3;3-7,10H,1-2H3;2*4-7H,1-3H3;5-8H,3H2,1-2,4H3;4-8H,1-3H3;2*4-8H,1-3H3;4-6H,1-3H3;4-7H,1-3H3;4-6H,1-3H3;5H2,1-4H3;4-6H,1-3H3/i;;;;;;;;;;;;;;;;;3D3
InChIKeyFJFYNZWWZVWUJI-WGQFYPFNSA-N
MW3081.40 g/mol
LogP46.25
Rot. Bonds30

About 5-tert-butyl-2-ethyltetrazole;N-cyclopropyl-4-propan-2-ylbenzamide;1-(difluoromethoxy)-4-propan-2-ylbenzene;1-(3-fluoro-3-methylazetidin-1-yl)-2-(4-propan-2-ylpyrazol-1-yl)ethanone;bis(2-fluoro-1-methyl-4-propan-2-ylbenzene);3-fluoro-2-methyl-5-propan-2-ylpyridine;1-(3-fluoro-3-methylpyrrolidin-1-yl)-2-(4-propan-2-ylpyrazol-1-yl)ethanone;1-methyl-2-methylidene-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;2-methyl-4-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyrimidine;1-methylsulfonyl-4-propan-2-ylbenzene;1-(4-propan-2-ylphenyl)piperidine;2-(4-propan-2-ylphenyl)propan-2-ol;4-propan-2-yl-1-(trideuteriomethyl)pyrazole

5-tert-butyl-2-ethyltetrazole;N-cyclopropyl-4-propan-2-ylbenzamide;1-(difluoromethoxy)-4-propan-2-ylbenzene;1-(3-fluoro-3-methylazetidin-1-yl)-2-(4-propan-2-ylpyrazol-1-yl)ethanone;bis(2-fluoro-1-methyl-4-propan-2-ylbenzene);3-fluoro-2-methyl-5-propan-2-ylpyridine;1-(3-fluoro-3-methylpyrrolidin-1-yl)-2-(4-propan-2-ylpyrazol-1-yl)ethanone;1-methyl-2-methylidene-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;2-methyl-4-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyrimidine;1-methylsulfonyl-4-propan-2-ylbenzene;1-(4-propan-2-ylphenyl)piperidine;2-(4-propan-2-ylphenyl)propan-2-ol;4-propan-2-yl-1-(trideuteriomethyl)pyrazole (PubChem CID 158048892) has the molecular formula C186H269F7N20O8S and a molecular weight of 3081.40 g/mol. Its IUPAC name is 5-tert-butyl-2-ethyltetrazole;N-cyclopropyl-4-propan-2-ylbenzamide;1-(difluoromethoxy)-4-propan-2-ylbenzene;1-(3-fluoro-3-methylazetidin-1-yl)-2-(4-propan-2-ylpyrazol-1-yl)ethanone;bis(2-fluoro-1-methyl-4-propan-2-ylbenzene);3-fluoro-2-methyl-5-propan-2-ylpyridine;1-(3-fluoro-3-methylpyrrolidin-1-yl)-2-(4-propan-2-ylpyrazol-1-yl)ethanone;1-methyl-2-methylidene-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;2-methyl-4-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyrimidine;1-methylsulfonyl-4-propan-2-ylbenzene;1-(4-propan-2-ylphenyl)piperidine;2-(4-propan-2-ylphenyl)propan-2-ol;4-propan-2-yl-1-(trideuteriomethyl)pyrazole.

Molecular Properties

Compound Name5-tert-butyl-2-ethyltetrazole;N-cyclopropyl-4-propan-2-ylbenzamide;1-(difluoromethoxy)-4-propan-2-ylbenzene;1-(3-fluoro-3-methylazetidin-1-yl)-2-(4-propan-2-ylpyrazol-1-yl)ethanone;bis(2-fluoro-1-methyl-4-propan-2-ylbenzene);3-fluoro-2-methyl-5-propan-2-ylpyridine;1-(3-fluoro-3-methylpyrrolidin-1-yl)-2-(4-propan-2-ylpyrazol-1-yl)ethanone;1-methyl-2-methylidene-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;2-methyl-4-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyrimidine;1-methylsulfonyl-4-propan-2-ylbenzene;1-(4-propan-2-ylphenyl)piperidine;2-(4-propan-2-ylphenyl)propan-2-ol;4-propan-2-yl-1-(trideuteriomethyl)pyrazole
PubChem CID158048892
Molecular FormulaC186H269F7N20O8S
Molecular Weight3081.40 g/mol
Exact Mass3079.11
IUPAC Name5-tert-butyl-2-ethyltetrazole;N-cyclopropyl-4-propan-2-ylbenzamide;1-(difluoromethoxy)-4-propan-2-ylbenzene;1-(3-fluoro-3-methylazetidin-1-yl)-2-(4-propan-2-ylpyrazol-1-yl)ethanone;bis(2-fluoro-1-methyl-4-propan-2-ylbenzene);3-fluoro-2-methyl-5-propan-2-ylpyridine;1-(3-fluoro-3-methylpyrrolidin-1-yl)-2-(4-propan-2-ylpyrazol-1-yl)ethanone;1-methyl-2-methylidene-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;2-methyl-4-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyrimidine;1-methylsulfonyl-4-propan-2-ylbenzene;1-(4-propan-2-ylphenyl)piperidine;2-(4-propan-2-ylphenyl)propan-2-ol;4-propan-2-yl-1-(trideuteriomethyl)pyrazole
SMILESC=C1C=CC(C(C)C)=CN1C.CC(C)c1ccc(C(=O)NC2CC2)cc1.CC(C)c1ccc(C(C)(C)O)cc1.CC(C)c1ccc(N2CCCCC2)cc1.CC(C)c1ccc(OC(F)F)cc1.CC(C)c1ccc(S(C)(=O)=O)cc1.CC(C)c1ccc2c(c1)OCCN2C.CC(C)c1cnn(CC(=O)N2CC(C)(F)C2)c1.CC(C)c1cnn(CC(=O)N2CCC(C)(F)C2)c1.CCn1nnc(C(C)(C)C)n1.Cc1cc(C(C)C)ccn1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1F.Cc1ccc(C(C)C)cc1F.Cc1cccc(C(C)C)c1.Cc1cnc(C(C)C)nc1.Cc1ncc(C(C)C)cc1F.[2H]C([2H])([2H])n1cc(C(C)C)cn1
InChIInChI=1S/C14H21N.C13H20FN3O.C13H17NO.C12H18FN3O.C12H17NO.C12H18O.C10H12F2O.2C10H13F.C10H15N.C10H14O2S.2C10H14.C9H12FN.C9H13N.C8H12N2.C7H14N4.C7H12N2/c1-12(2)13-6-8-14(9-7-13)15-10-4-3-5-11-15;1-10(2)11-6-15-17(7-11)8-12(18)16-5-4-13(3,14)9-16;1-9(2)10-3-5-11(6-4-10)13(15)14-12-7-8-12;1-9(2)10-4-14-16(5-10)6-11(17)15-7-12(3,13)8-15;1-9(2)10-4-5-11-12(8-10)14-7-6-13(11)3;1-9(2)10-5-7-11(8-6-10)12(3,4)13;1-7(2)8-3-5-9(6-4-8)13-10(11)12;2*1-7(2)9-5-4-8(3)10(11)6-9;1-8(2)10-6-5-9(3)11(4)7-10;1-8(2)9-4-6-10(7-5-9)13(3,11)12;1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-6-4-5-9(3)7-10;1-6(2)8-4-9(10)7(3)11-5-8;1-7(2)9-4-5-10-8(3)6-9;1-6(2)8-9-4-7(3)5-10-8;1-5-11-9-6(8-10-11)7(2,3)4;1-6(2)7-4-8-9(3)5-7/h6-9,12H,3-5,10-11H2,1-2H3;6-7,10H,4-5,8-9H2,1-3H3;3-6,9,12H,7-8H2,1-2H3,(H,14,15);4-5,9H,6-8H2,1-3H3;4-5,8-9H,6-7H2,1-3H3;5-9,13H,1-4H3;3-7,10H,1-2H3;2*4-7H,1-3H3;5-8H,3H2,1-2,4H3;4-8H,1-3H3;2*4-8H,1-3H3;4-6H,1-3H3;4-7H,1-3H3;4-6H,1-3H3;5H2,1-4H3;4-6H,1-3H3/i;;;;;;;;;;;;;;;;;3D3
InChIKeyFJFYNZWWZVWUJI-WGQFYPFNSA-N
XLogP46.25
TPSA300.89 Ų
H-Bond Donors2
H-Bond Acceptors25
Rotatable Bonds30
Heavy Atoms222
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003081.40
LogP ≤ 546.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 5-tert-butyl-2-ethyltetrazole;N-cyclopropyl-4-propan-2-ylbenzamide;1-(difluoromethoxy)-4-propan-2-ylbenzene;1-(3-fluoro-3-methylazetidin-1-yl)-2-(4-propan-2-ylpyrazol-1-yl)ethanone;bis(2-fluoro-1-methyl-4-propan-2-ylbenzene);3-fluoro-2-methyl-5-propan-2-ylpyridine;1-(3-fluoro-3-methylpyrrolidin-1-yl)-2-(4-propan-2-ylpyrazol-1-yl)ethanone;1-methyl-2-methylidene-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;2-methyl-4-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyrimidine;1-methylsulfonyl-4-propan-2-ylbenzene;1-(4-propan-2-ylphenyl)piperidine;2-(4-propan-2-ylphenyl)propan-2-ol;4-propan-2-yl-1-(trideuteriomethyl)pyrazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-ethyltetrazole;N-cyclopropyl-4-propan-2-ylbenzamide;1-(difluoromethoxy)-4-propan-2-ylbenzene;1-(3-fluoro-3-methylazetidin-1-yl)-2-(4-propan-2-ylpyrazol-1-yl)ethanone;bis(2-fluoro-1-methyl-4-propan-2-ylbenzene);3-fluoro-2-methyl-5-propan-2-ylpyridine;1-(3-fluoro-3-methylpyrrolidin-1-yl)-2-(4-propan-2-ylpyrazol-1-yl)ethanone;1-methyl-2-methylidene-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;2-methyl-4-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyrimidine;1-methylsulfonyl-4-propan-2-ylbenzene;1-(4-propan-2-ylphenyl)piperidine;2-(4-propan-2-ylphenyl)propan-2-ol;4-propan-2-yl-1-(trideuteriomethyl)pyrazole?
The IUPAC name of 5-tert-butyl-2-ethyltetrazole;N-cyclopropyl-4-propan-2-ylbenzamide;1-(difluoromethoxy)-4-propan-2-ylbenzene;1-(3-fluoro-3-methylazetidin-1-yl)-2-(4-propan-2-ylpyrazol-1-yl)ethanone;bis(2-fluoro-1-methyl-4-propan-2-ylbenzene);3-fluoro-2-methyl-5-propan-2-ylpyridine;1-(3-fluoro-3-methylpyrrolidin-1-yl)-2-(4-propan-2-ylpyrazol-1-yl)ethanone;1-methyl-2-methylidene-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;2-methyl-4-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyrimidine;1-methylsulfonyl-4-propan-2-ylbenzene;1-(4-propan-2-ylphenyl)piperidine;2-(4-propan-2-ylphenyl)propan-2-ol;4-propan-2-yl-1-(trideuteriomethyl)pyrazole (CID 158048892) is 5-tert-butyl-2-ethyltetrazole;N-cyclopropyl-4-propan-2-ylbenzamide;1-(difluoromethoxy)-4-propan-2-ylbenzene;1-(3-fluoro-3-methylazetidin-1-yl)-2-(4-propan-2-ylpyrazol-1-yl)ethanone;bis(2-fluoro-1-methyl-4-propan-2-ylbenzene);3-fluoro-2-methyl-5-propan-2-ylpyridine;1-(3-fluoro-3-methylpyrrolidin-1-yl)-2-(4-propan-2-ylpyrazol-1-yl)ethanone;1-methyl-2-methylidene-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;2-methyl-4-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyrimidine;1-methylsulfonyl-4-propan-2-ylbenzene;1-(4-propan-2-ylphenyl)piperidine;2-(4-propan-2-ylphenyl)propan-2-ol;4-propan-2-yl-1-(trideuteriomethyl)pyrazole.
What is the SMILES notation for 5-tert-butyl-2-ethyltetrazole;N-cyclopropyl-4-propan-2-ylbenzamide;1-(difluoromethoxy)-4-propan-2-ylbenzene;1-(3-fluoro-3-methylazetidin-1-yl)-2-(4-propan-2-ylpyrazol-1-yl)ethanone;bis(2-fluoro-1-methyl-4-propan-2-ylbenzene);3-fluoro-2-methyl-5-propan-2-ylpyridine;1-(3-fluoro-3-methylpyrrolidin-1-yl)-2-(4-propan-2-ylpyrazol-1-yl)ethanone;1-methyl-2-methylidene-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;2-methyl-4-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyrimidine;1-methylsulfonyl-4-propan-2-ylbenzene;1-(4-propan-2-ylphenyl)piperidine;2-(4-propan-2-ylphenyl)propan-2-ol;4-propan-2-yl-1-(trideuteriomethyl)pyrazole?
The canonical SMILES for 5-tert-butyl-2-ethyltetrazole;N-cyclopropyl-4-propan-2-ylbenzamide;1-(difluoromethoxy)-4-propan-2-ylbenzene;1-(3-fluoro-3-methylazetidin-1-yl)-2-(4-propan-2-ylpyrazol-1-yl)ethanone;bis(2-fluoro-1-methyl-4-propan-2-ylbenzene);3-fluoro-2-methyl-5-propan-2-ylpyridine;1-(3-fluoro-3-methylpyrrolidin-1-yl)-2-(4-propan-2-ylpyrazol-1-yl)ethanone;1-methyl-2-methylidene-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;2-methyl-4-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyrimidine;1-methylsulfonyl-4-propan-2-ylbenzene;1-(4-propan-2-ylphenyl)piperidine;2-(4-propan-2-ylphenyl)propan-2-ol;4-propan-2-yl-1-(trideuteriomethyl)pyrazole is C=C1C=CC(C(C)C)=CN1C.CC(C)c1ccc(C(=O)NC2CC2)cc1.CC(C)c1ccc(C(C)(C)O)cc1.CC(C)c1ccc(N2CCCCC2)cc1.CC(C)c1ccc(OC(F)F)cc1.CC(C)c1ccc(S(C)(=O)=O)cc1.CC(C)c1ccc2c(c1)OCCN2C.CC(C)c1cnn(CC(=O)N2CC(C)(F)C2)c1.CC(C)c1cnn(CC(=O)N2CCC(C)(F)C2)c1.CCn1nnc(C(C)(C)C)n1.Cc1cc(C(C)C)ccn1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1F.Cc1ccc(C(C)C)cc1F.Cc1cccc(C(C)C)c1.Cc1cnc(C(C)C)nc1.Cc1ncc(C(C)C)cc1F.[2H]C([2H])([2H])n1cc(C(C)C)cn1.
What is the InChIKey of 5-tert-butyl-2-ethyltetrazole;N-cyclopropyl-4-propan-2-ylbenzamide;1-(difluoromethoxy)-4-propan-2-ylbenzene;1-(3-fluoro-3-methylazetidin-1-yl)-2-(4-propan-2-ylpyrazol-1-yl)ethanone;bis(2-fluoro-1-methyl-4-propan-2-ylbenzene);3-fluoro-2-methyl-5-propan-2-ylpyridine;1-(3-fluoro-3-methylpyrrolidin-1-yl)-2-(4-propan-2-ylpyrazol-1-yl)ethanone;1-methyl-2-methylidene-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;2-methyl-4-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyrimidine;1-methylsulfonyl-4-propan-2-ylbenzene;1-(4-propan-2-ylphenyl)piperidine;2-(4-propan-2-ylphenyl)propan-2-ol;4-propan-2-yl-1-(trideuteriomethyl)pyrazole?
The InChIKey is FJFYNZWWZVWUJI-WGQFYPFNSA-N. The full InChI is InChI=1S/C14H21N.C13H20FN3O.C13H17NO.C12H18FN3O.C12H17NO.C12H18O.C10H12F2O.2C10H13F.C10H15N.C10H14O2S.2C10H14.C9H12FN.C9H13N.C8H12N2.C7H14N4.C7H12N2/c1-12(2)13-6-8-14(9-7-13)15-10-4-3-5-11-15;1-10(2)11-6-15-17(7-11)8-12(18)16-5-4-13(3,14)9-16;1-9(2)10-3-5-11(6-4-10)13(15)14-12-7-8-12;1-9(2)10-4-14-16(5-10)6-11(17)15-7-12(3,13)8-15;1-9(2)10-4-5-11-12(8-10)14-7-6-13(11)3;1-9(2)10-5-7-11(8-6-10)12(3,4)13;1-7(2)8-3-5-9(6-4-8)13-10(11)12;2*1-7(2)9-5-4-8(3)10(11)6-9;1-8(2)10-6-5-9(3)11(4)7-10;1-8(2)9-4-6-10(7-5-9)13(3,11)12;1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-6-4-5-9(3)7-10;1-6(2)8-4-9(10)7(3)11-5-8;1-7(2)9-4-5-10-8(3)6-9;1-6(2)8-9-4-7(3)5-10-8;1-5-11-9-6(8-10-11)7(2,3)4;1-6(2)7-4-8-9(3)5-7/h6-9,12H,3-5,10-11H2,1-2H3;6-7,10H,4-5,8-9H2,1-3H3;3-6,9,12H,7-8H2,1-2H3,(H,14,15);4-5,9H,6-8H2,1-3H3;4-5,8-9H,6-7H2,1-3H3;5-9,13H,1-4H3;3-7,10H,1-2H3;2*4-7H,1-3H3;5-8H,3H2,1-2,4H3;4-8H,1-3H3;2*4-8H,1-3H3;4-6H,1-3H3;4-7H,1-3H3;4-6H,1-3H3;5H2,1-4H3;4-6H,1-3H3/i;;;;;;;;;;;;;;;;;3D3.
What are the key properties of 5-tert-butyl-2-ethyltetrazole;N-cyclopropyl-4-propan-2-ylbenzamide;1-(difluoromethoxy)-4-propan-2-ylbenzene;1-(3-fluoro-3-methylazetidin-1-yl)-2-(4-propan-2-ylpyrazol-1-yl)ethanone;bis(2-fluoro-1-methyl-4-propan-2-ylbenzene);3-fluoro-2-methyl-5-propan-2-ylpyridine;1-(3-fluoro-3-methylpyrrolidin-1-yl)-2-(4-propan-2-ylpyrazol-1-yl)ethanone;1-methyl-2-methylidene-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;2-methyl-4-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyrimidine;1-methylsulfonyl-4-propan-2-ylbenzene;1-(4-propan-2-ylphenyl)piperidine;2-(4-propan-2-ylphenyl)propan-2-ol;4-propan-2-yl-1-(trideuteriomethyl)pyrazole?
5-tert-butyl-2-ethyltetrazole;N-cyclopropyl-4-propan-2-ylbenzamide;1-(difluoromethoxy)-4-propan-2-ylbenzene;1-(3-fluoro-3-methylazetidin-1-yl)-2-(4-propan-2-ylpyrazol-1-yl)ethanone;bis(2-fluoro-1-methyl-4-propan-2-ylbenzene);3-fluoro-2-methyl-5-propan-2-ylpyridine;1-(3-fluoro-3-methylpyrrolidin-1-yl)-2-(4-propan-2-ylpyrazol-1-yl)ethanone;1-methyl-2-methylidene-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;2-methyl-4-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyrimidine;1-methylsulfonyl-4-propan-2-ylbenzene;1-(4-propan-2-ylphenyl)piperidine;2-(4-propan-2-ylphenyl)propan-2-ol;4-propan-2-yl-1-(trideuteriomethyl)pyrazole has a molecular weight of 3081.40 g/mol, XLogP of 46.25, 30 rotatable bonds, 2 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-ethyltetrazole;N-cyclopropyl-4-propan-2-ylbenzamide;1-(difluoromethoxy)-4-propan-2-ylbenzene;1-(3-fluoro-3-methylazetidin-1-yl)-2-(4-propan-2-ylpyrazol-1-yl)ethanone;bis(2-fluoro-1-methyl-4-propan-2-ylbenzene);3-fluoro-2-methyl-5-propan-2-ylpyridine;1-(3-fluoro-3-methylpyrrolidin-1-yl)-2-(4-propan-2-ylpyrazol-1-yl)ethanone;1-methyl-2-methylidene-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;2-methyl-4-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyrimidine;1-methylsulfonyl-4-propan-2-ylbenzene;1-(4-propan-2-ylphenyl)piperidine;2-(4-propan-2-ylphenyl)propan-2-ol;4-propan-2-yl-1-(trideuteriomethyl)pyrazole is sourced from PubChem (CID 158048892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).