4-tert-butyl-1-cyclopropylpyrazole;4-tert-butyl-1-(4,4-difluorocyclohexyl)pyrazole;4-tert-butyl-1-(difluoromethyl)pyrazole;2-tert-butyl-5-(3,3-dimethylazetidin-1-yl)pyridine;4-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(oxan-4-yl)pyrazole;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;1-(4-tert-butylpyrazol-1-yl)-2-methylpropan-2-ol;4-(4-tert-butylpyrazol-1-yl)pyridine;2-tert-butylpyridine;1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine;1-(6-tert-butyl-3-pyridinyl)-4-methylpiperazine

C152H246F4N30O3 — CID 163857492

IUPAC4-tert-butyl-1-cyclopropylpyrazole;4-tert-butyl-1-(4,4-difluorocyclohexyl)pyrazole;4-tert-butyl-1-(difluoromethyl)pyrazole;2-tert-butyl-5-(3,3-dimethylazetidin-1-yl)pyridine;4-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(oxan-4-yl)pyrazole;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;1-(4-tert-butylpyrazol-1-yl)-2-methylpropan-2-ol;4-(4-tert-butylpyrazol-1-yl)pyridine;2-tert-butylpyridine;1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine;1-(6-tert-butyl-3-pyridinyl)-4-methylpiperazine
SMILESCC(C)(C)c1ccccn1.CC(C)(C)c1cnn(-c2ccncc2)c1.CC(C)(C)c1cnn(C(F)F)c1.CC(C)(C)c1cnn(C2CC2)c1.CC(C)(C)c1cnn(C2CCC(F)(F)CC2)c1.CC(C)(C)c1cnn(C2CCOCC2)c1.CC(C)(C)c1cnn(CCN2CCOCC2)c1.CC(C)(O)Cn1cc(C(C)(C)C)cn1.CC1(C)CN(c2ccc(C(C)(C)C)nc2)C1.CCn1cc(C(C)(C)C)cn1.CN1CCC(n2cc(C(C)(C)C)cn2)CC1.CN1CCN(c2ccc(C(C)(C)C)cn2)CC1.CN1CCN(c2ccc(C(C)(C)C)nc2)CC1
InChIInChI=1S/2C14H23N3.C14H22N2.C13H20F2N2.C13H23N3O.C13H23N3.C12H15N3.C12H20N2O.C11H20N2O.C10H16N2.C9H16N2.C9H13N.C8H12F2N2/c1-14(2,3)13-6-5-12(11-15-13)17-9-7-16(4)8-10-17;1-14(2,3)12-5-6-13(15-11-12)17-9-7-16(4)8-10-17;1-13(2,3)12-7-6-11(8-15-12)16-9-14(4,5)10-16;1-12(2,3)10-8-16-17(9-10)11-4-6-13(14,15)7-5-11;1-13(2,3)12-10-14-16(11-12)5-4-15-6-8-17-9-7-15;1-13(2,3)11-9-14-16(10-11)12-5-7-15(4)8-6-12;1-12(2,3)10-8-14-15(9-10)11-4-6-13-7-5-11;1-12(2,3)10-8-13-14(9-10)11-4-6-15-7-5-11;1-10(2,3)9-6-12-13(7-9)8-11(4,5)14;1-10(2,3)8-6-11-12(7-8)9-4-5-9;1-5-11-7-8(6-10-11)9(2,3)4;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)6-4-11-12(5-6)7(9)10/h2*5-6,11H,7-10H2,1-4H3;6-8H,9-10H2,1-5H3;8-9,11H,4-7H2,1-3H3;10-11H,4-9H2,1-3H3;9-10,12H,5-8H2,1-4H3;4-9H,1-3H3;8-9,11H,4-7H2,1-3H3;6-7,14H,8H2,1-5H3;6-7,9H,4-5H2,1-3H3;6-7H,5H2,1-4H3;4-7H,1-3H3;4-5,7H,1-3H3
InChIKeyOZOKTLUWVNBOPL-UHFFFAOYSA-N
MW2617.84 g/mol
LogP32.10
Rot. Bonds15

About 4-tert-butyl-1-cyclopropylpyrazole;4-tert-butyl-1-(4,4-difluorocyclohexyl)pyrazole;4-tert-butyl-1-(difluoromethyl)pyrazole;2-tert-butyl-5-(3,3-dimethylazetidin-1-yl)pyridine;4-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(oxan-4-yl)pyrazole;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;1-(4-tert-butylpyrazol-1-yl)-2-methylpropan-2-ol;4-(4-tert-butylpyrazol-1-yl)pyridine;2-tert-butylpyridine;1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine;1-(6-tert-butyl-3-pyridinyl)-4-methylpiperazine

4-tert-butyl-1-cyclopropylpyrazole;4-tert-butyl-1-(4,4-difluorocyclohexyl)pyrazole;4-tert-butyl-1-(difluoromethyl)pyrazole;2-tert-butyl-5-(3,3-dimethylazetidin-1-yl)pyridine;4-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(oxan-4-yl)pyrazole;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;1-(4-tert-butylpyrazol-1-yl)-2-methylpropan-2-ol;4-(4-tert-butylpyrazol-1-yl)pyridine;2-tert-butylpyridine;1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine;1-(6-tert-butyl-3-pyridinyl)-4-methylpiperazine (PubChem CID 163857492) has the molecular formula C152H246F4N30O3 and a molecular weight of 2617.84 g/mol. Its IUPAC name is 4-tert-butyl-1-cyclopropylpyrazole;4-tert-butyl-1-(4,4-difluorocyclohexyl)pyrazole;4-tert-butyl-1-(difluoromethyl)pyrazole;2-tert-butyl-5-(3,3-dimethylazetidin-1-yl)pyridine;4-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(oxan-4-yl)pyrazole;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;1-(4-tert-butylpyrazol-1-yl)-2-methylpropan-2-ol;4-(4-tert-butylpyrazol-1-yl)pyridine;2-tert-butylpyridine;1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine;1-(6-tert-butyl-3-pyridinyl)-4-methylpiperazine.

Molecular Properties

Compound Name4-tert-butyl-1-cyclopropylpyrazole;4-tert-butyl-1-(4,4-difluorocyclohexyl)pyrazole;4-tert-butyl-1-(difluoromethyl)pyrazole;2-tert-butyl-5-(3,3-dimethylazetidin-1-yl)pyridine;4-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(oxan-4-yl)pyrazole;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;1-(4-tert-butylpyrazol-1-yl)-2-methylpropan-2-ol;4-(4-tert-butylpyrazol-1-yl)pyridine;2-tert-butylpyridine;1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine;1-(6-tert-butyl-3-pyridinyl)-4-methylpiperazine
PubChem CID163857492
Molecular FormulaC152H246F4N30O3
Molecular Weight2617.84 g/mol
Exact Mass2616.00
IUPAC Name4-tert-butyl-1-cyclopropylpyrazole;4-tert-butyl-1-(4,4-difluorocyclohexyl)pyrazole;4-tert-butyl-1-(difluoromethyl)pyrazole;2-tert-butyl-5-(3,3-dimethylazetidin-1-yl)pyridine;4-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(oxan-4-yl)pyrazole;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;1-(4-tert-butylpyrazol-1-yl)-2-methylpropan-2-ol;4-(4-tert-butylpyrazol-1-yl)pyridine;2-tert-butylpyridine;1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine;1-(6-tert-butyl-3-pyridinyl)-4-methylpiperazine
SMILESCC(C)(C)c1ccccn1.CC(C)(C)c1cnn(-c2ccncc2)c1.CC(C)(C)c1cnn(C(F)F)c1.CC(C)(C)c1cnn(C2CC2)c1.CC(C)(C)c1cnn(C2CCC(F)(F)CC2)c1.CC(C)(C)c1cnn(C2CCOCC2)c1.CC(C)(C)c1cnn(CCN2CCOCC2)c1.CC(C)(O)Cn1cc(C(C)(C)C)cn1.CC1(C)CN(c2ccc(C(C)(C)C)nc2)C1.CCn1cc(C(C)(C)C)cn1.CN1CCC(n2cc(C(C)(C)C)cn2)CC1.CN1CCN(c2ccc(C(C)(C)C)cn2)CC1.CN1CCN(c2ccc(C(C)(C)C)nc2)CC1
InChIInChI=1S/2C14H23N3.C14H22N2.C13H20F2N2.C13H23N3O.C13H23N3.C12H15N3.C12H20N2O.C11H20N2O.C10H16N2.C9H16N2.C9H13N.C8H12F2N2/c1-14(2,3)13-6-5-12(11-15-13)17-9-7-16(4)8-10-17;1-14(2,3)12-5-6-13(15-11-12)17-9-7-16(4)8-10-17;1-13(2,3)12-7-6-11(8-15-12)16-9-14(4,5)10-16;1-12(2,3)10-8-16-17(9-10)11-4-6-13(14,15)7-5-11;1-13(2,3)12-10-14-16(11-12)5-4-15-6-8-17-9-7-15;1-13(2,3)11-9-14-16(10-11)12-5-7-15(4)8-6-12;1-12(2,3)10-8-14-15(9-10)11-4-6-13-7-5-11;1-12(2,3)10-8-13-14(9-10)11-4-6-15-7-5-11;1-10(2,3)9-6-12-13(7-9)8-11(4,5)14;1-10(2,3)8-6-11-12(7-8)9-4-5-9;1-5-11-7-8(6-10-11)9(2,3)4;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)6-4-11-12(5-6)7(9)10/h2*5-6,11H,7-10H2,1-4H3;6-8H,9-10H2,1-5H3;8-9,11H,4-7H2,1-3H3;10-11H,4-9H2,1-3H3;9-10,12H,5-8H2,1-4H3;4-9H,1-3H3;8-9,11H,4-7H2,1-3H3;6-7,14H,8H2,1-5H3;6-7,9H,4-5H2,1-3H3;6-7H,5H2,1-4H3;4-7H,1-3H3;4-5,7H,1-3H3
InChIKeyOZOKTLUWVNBOPL-UHFFFAOYSA-N
XLogP32.10
TPSA286.20 Ų
H-Bond Donors1
H-Bond Acceptors33
Rotatable Bonds15
Heavy Atoms189
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002617.84
LogP ≤ 532.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1033

Analyze 4-tert-butyl-1-cyclopropylpyrazole;4-tert-butyl-1-(4,4-difluorocyclohexyl)pyrazole;4-tert-butyl-1-(difluoromethyl)pyrazole;2-tert-butyl-5-(3,3-dimethylazetidin-1-yl)pyridine;4-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(oxan-4-yl)pyrazole;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;1-(4-tert-butylpyrazol-1-yl)-2-methylpropan-2-ol;4-(4-tert-butylpyrazol-1-yl)pyridine;2-tert-butylpyridine;1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine;1-(6-tert-butyl-3-pyridinyl)-4-methylpiperazine with MolForge

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Launch Full Analysis

Related Compounds

N-tert-butylacetamide;N-tert-butylcyclopropanecarboxamide;4-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-1,5-dimethylpyrazole;N-tert-butyl-2-methylpropanamide;N-tert-butyl-1-methylpyrazol-3-amine;N-tert-butyl-1-methylpyrazol-4-amine;N-tert-butyl-2-methylpyrazol-3-amine;4-tert-butyl-1-methylpyrazole;5-tert-butyl-1-methylpyrazole;N-tert-butyloxetan-3-amine;N-tert-butylpropanamide;N-tert-butylpyridin-2-amine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;1,1-difluoro-2,2-dimethylpropane;N,2-dimethylpropan-2-amine;N-ethyl-2-methylpropan-2-amine;2-methylpropan-2-amine;2-methyl-N-(2,2,2-trifluoroethyl)propan-2-amine;1,1,1-trifluoro-2,2-dimethylpropane
CID 157378933
1-benzyl-4-propan-2-ylpyrazole;1-cyclopentyl-4-propan-2-ylpyrazole;1-[(2,2-difluorocyclopropyl)methyl]-4-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrazole;N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)ethanamine;1-ethyl-4-propan-2-ylpyrazole;methane;1-methyl-4-propan-2-ylpyrazole;1-methyl-4-[(4-propan-2-ylpyrazol-1-yl)methyl]piperidine;1-(2-methylpropyl)-4-propan-2-ylpyrazole;1-(oxan-4-yl)-4-propan-2-ylpyrazole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine
CID 158346690
bis(5-[5-[(1R,5S)-3-imidazol-1-yl-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine);5-[5-[(1S,5R)-3-[4-(oxetan-3-yl)piperazin-1-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 158441876
4-Tert-butyl-1-(4,4-difluorocyclohexyl)pyrazole;4-tert-butyl-1-(difluoromethyl)pyrazole;4-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(oxan-4-yl)pyrazole;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;1-(4-tert-butylpyrazol-1-yl)-2-methylpropan-2-ol;4-(4-tert-butylpyrazol-1-yl)pyridine;methane
CID 158544290
3-Tert-butyl-2-cyclobutylpyrazolo[1,5-a]pyridine;3-tert-butyl-2-cyclopentylpyrazolo[1,5-a]pyridine;3-tert-butyl-2-cyclopropylpyrazolo[1,5-a]pyridine;3-tert-butyl-2-ethylpyrazolo[1,5-a]pyridine;1-tert-butyl-3-methylimidazo[1,5-a]pyridine;3-tert-butyl-1-methylimidazo[1,5-a]pyridine;tetrakis(3-tert-butyl-2-methylpyrazolo[1,5-a]pyridine);3-tert-butyl-7-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine;3-tert-butyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyridine;2-(3-tert-butylpyrazolo[1,5-a]pyridin-2-yl)propan-2-ol;1-tert-butyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;3-tert-butyl-1-(trifluoromethyl)imidazo[1,5-a]pyridine;3-tert-butyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine
CID 158682605
1-tert-butyl-3,3-difluoropyrrolidine;5-tert-butyl-2,3-dimethylpyridine;(3S)-1-tert-butyl-3-fluoropyrrolidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butyl-2-methylimidazole;3-tert-butyl-4-methyl-1,2,5-oxadiazole;(2R)-1-tert-butyl-2-methylpyrrolidine;(2S)-1-tert-butyl-2-methylpyrrolidine;5-tert-butyl-1-methyltriazole;4-tert-butylmorpholine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;1-tert-butylpyrrolidine;1-tert-butyl-1,2,4-triazole
CID 158707644
3-[2-[(3R,5S)-3-(1,3-dimethylpyrazol-4-yl)-5-methylpiperidin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[2-[(3R,5R)-3-(1,3-dimethylpyrazol-4-yl)-5-methylpiperidin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[2-[(5S)-3-(1,3-dimethylpyrazol-4-yl)-5-methylpiperidin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[2-[(5R)-3-(1,3-dimethylpyrazol-4-yl)-5-methylpiperidin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[2-[(3R,5R)-3-[1-(2-methoxyethyl)pyrazol-4-yl]-5-methylpiperidin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 158873545
4-Tert-butyl-1-cyclopropylpyrazole;4-tert-butyl-1-(4,4-difluorocyclohexyl)pyrazole;4-tert-butyl-1-(difluoromethyl)pyrazole;4-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(2-methoxyethyl)pyrazole;4-tert-butyl-1-(oxan-4-yl)pyrazole;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;1-(4-tert-butylpyrazol-1-yl)-2-methylpropan-2-ol;4-(4-tert-butylpyrazol-1-yl)pyridine;2-tert-butylpyridine
CID 159341258
1-benzyl-4-propan-2-ylpyrazole;1-cyclopentyl-4-propan-2-ylpyrazole;1-[(2,2-difluorocyclopropyl)methyl]-4-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrazole;N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)ethanamine;1-ethyl-4-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-4-[(4-propan-2-ylpyrazol-1-yl)methyl]piperidine;1-(2-methylpropyl)-4-propan-2-ylpyrazole;1-(oxan-4-yl)-4-propan-2-ylpyrazole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine
CID 159376609
1-cyclobutyl-4-propan-2-ylpyrazole;5-(4,4-difluoropiperidin-1-yl)-2-propan-2-ylpyridine;2,6-dimethyl-4-(6-propan-2-yl-3-pyridinyl)morpholine;1-ethyl-4-propan-2-ylpyrazole;5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-propan-2-ylpyridine;5-(1-methylpiperidin-4-yl)-2-propan-2-ylpyridine;1-methyl-4-propan-2-ylpyrazole;1-methyl-4-(6-propan-2-yl-3-pyridinyl)piperazine;1-(oxan-4-yl)-4-propan-2-ylpyrazole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;2-(4-propan-2-ylpyrazol-1-yl)ethanamine;2-(4-propan-2-ylpyrazol-1-yl)ethanol;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine
CID 160035982
bis(3-[(1S,5R)-3-(4-tert-butylphenyl)-8-azabicyclo[3.2.1]octan-8-yl]-1,1,1-trifluoropropan-2-ol);4-(4-tert-butylphenyl)-1,3-dimethylpyrazole;4-[(4-tert-butylphenyl)methyl]-2,2-dimethylmorpholine;3-[(4-tert-butylphenyl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane;5-[(4-tert-butylphenyl)methyl]-2-oxa-5-azaspiro[3.5]nonane;2-[4-(4-tert-butylphenyl)pyrazol-1-yl]ethanol;4-[4-(4-tert-butylphenyl)-2-pyridinyl]morpholine
CID 160189281
1-benzyl-4-propan-2-ylpyrazole;1-cyclopentyl-4-propan-2-ylpyrazole;1-[(2,2-difluorocyclopropyl)methyl]-4-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrazole;N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)ethanamine;1-ethyl-4-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-4-[(4-propan-2-ylpyrazol-1-yl)methyl]piperidine;1-(2-methylpropyl)-4-propan-2-ylpyrazole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;4-(4-propan-2-ylpyrazol-1-yl)morpholine
CID 161571245

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-cyclopropylpyrazole;4-tert-butyl-1-(4,4-difluorocyclohexyl)pyrazole;4-tert-butyl-1-(difluoromethyl)pyrazole;2-tert-butyl-5-(3,3-dimethylazetidin-1-yl)pyridine;4-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(oxan-4-yl)pyrazole;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;1-(4-tert-butylpyrazol-1-yl)-2-methylpropan-2-ol;4-(4-tert-butylpyrazol-1-yl)pyridine;2-tert-butylpyridine;1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine;1-(6-tert-butyl-3-pyridinyl)-4-methylpiperazine?
The IUPAC name of 4-tert-butyl-1-cyclopropylpyrazole;4-tert-butyl-1-(4,4-difluorocyclohexyl)pyrazole;4-tert-butyl-1-(difluoromethyl)pyrazole;2-tert-butyl-5-(3,3-dimethylazetidin-1-yl)pyridine;4-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(oxan-4-yl)pyrazole;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;1-(4-tert-butylpyrazol-1-yl)-2-methylpropan-2-ol;4-(4-tert-butylpyrazol-1-yl)pyridine;2-tert-butylpyridine;1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine;1-(6-tert-butyl-3-pyridinyl)-4-methylpiperazine (CID 163857492) is 4-tert-butyl-1-cyclopropylpyrazole;4-tert-butyl-1-(4,4-difluorocyclohexyl)pyrazole;4-tert-butyl-1-(difluoromethyl)pyrazole;2-tert-butyl-5-(3,3-dimethylazetidin-1-yl)pyridine;4-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(oxan-4-yl)pyrazole;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;1-(4-tert-butylpyrazol-1-yl)-2-methylpropan-2-ol;4-(4-tert-butylpyrazol-1-yl)pyridine;2-tert-butylpyridine;1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine;1-(6-tert-butyl-3-pyridinyl)-4-methylpiperazine.
What is the SMILES notation for 4-tert-butyl-1-cyclopropylpyrazole;4-tert-butyl-1-(4,4-difluorocyclohexyl)pyrazole;4-tert-butyl-1-(difluoromethyl)pyrazole;2-tert-butyl-5-(3,3-dimethylazetidin-1-yl)pyridine;4-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(oxan-4-yl)pyrazole;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;1-(4-tert-butylpyrazol-1-yl)-2-methylpropan-2-ol;4-(4-tert-butylpyrazol-1-yl)pyridine;2-tert-butylpyridine;1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine;1-(6-tert-butyl-3-pyridinyl)-4-methylpiperazine?
The canonical SMILES for 4-tert-butyl-1-cyclopropylpyrazole;4-tert-butyl-1-(4,4-difluorocyclohexyl)pyrazole;4-tert-butyl-1-(difluoromethyl)pyrazole;2-tert-butyl-5-(3,3-dimethylazetidin-1-yl)pyridine;4-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(oxan-4-yl)pyrazole;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;1-(4-tert-butylpyrazol-1-yl)-2-methylpropan-2-ol;4-(4-tert-butylpyrazol-1-yl)pyridine;2-tert-butylpyridine;1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine;1-(6-tert-butyl-3-pyridinyl)-4-methylpiperazine is CC(C)(C)c1ccccn1.CC(C)(C)c1cnn(-c2ccncc2)c1.CC(C)(C)c1cnn(C(F)F)c1.CC(C)(C)c1cnn(C2CC2)c1.CC(C)(C)c1cnn(C2CCC(F)(F)CC2)c1.CC(C)(C)c1cnn(C2CCOCC2)c1.CC(C)(C)c1cnn(CCN2CCOCC2)c1.CC(C)(O)Cn1cc(C(C)(C)C)cn1.CC1(C)CN(c2ccc(C(C)(C)C)nc2)C1.CCn1cc(C(C)(C)C)cn1.CN1CCC(n2cc(C(C)(C)C)cn2)CC1.CN1CCN(c2ccc(C(C)(C)C)cn2)CC1.CN1CCN(c2ccc(C(C)(C)C)nc2)CC1.
What is the InChIKey of 4-tert-butyl-1-cyclopropylpyrazole;4-tert-butyl-1-(4,4-difluorocyclohexyl)pyrazole;4-tert-butyl-1-(difluoromethyl)pyrazole;2-tert-butyl-5-(3,3-dimethylazetidin-1-yl)pyridine;4-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(oxan-4-yl)pyrazole;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;1-(4-tert-butylpyrazol-1-yl)-2-methylpropan-2-ol;4-(4-tert-butylpyrazol-1-yl)pyridine;2-tert-butylpyridine;1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine;1-(6-tert-butyl-3-pyridinyl)-4-methylpiperazine?
The InChIKey is OZOKTLUWVNBOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H23N3.C14H22N2.C13H20F2N2.C13H23N3O.C13H23N3.C12H15N3.C12H20N2O.C11H20N2O.C10H16N2.C9H16N2.C9H13N.C8H12F2N2/c1-14(2,3)13-6-5-12(11-15-13)17-9-7-16(4)8-10-17;1-14(2,3)12-5-6-13(15-11-12)17-9-7-16(4)8-10-17;1-13(2,3)12-7-6-11(8-15-12)16-9-14(4,5)10-16;1-12(2,3)10-8-16-17(9-10)11-4-6-13(14,15)7-5-11;1-13(2,3)12-10-14-16(11-12)5-4-15-6-8-17-9-7-15;1-13(2,3)11-9-14-16(10-11)12-5-7-15(4)8-6-12;1-12(2,3)10-8-14-15(9-10)11-4-6-13-7-5-11;1-12(2,3)10-8-13-14(9-10)11-4-6-15-7-5-11;1-10(2,3)9-6-12-13(7-9)8-11(4,5)14;1-10(2,3)8-6-11-12(7-8)9-4-5-9;1-5-11-7-8(6-10-11)9(2,3)4;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)6-4-11-12(5-6)7(9)10/h2*5-6,11H,7-10H2,1-4H3;6-8H,9-10H2,1-5H3;8-9,11H,4-7H2,1-3H3;10-11H,4-9H2,1-3H3;9-10,12H,5-8H2,1-4H3;4-9H,1-3H3;8-9,11H,4-7H2,1-3H3;6-7,14H,8H2,1-5H3;6-7,9H,4-5H2,1-3H3;6-7H,5H2,1-4H3;4-7H,1-3H3;4-5,7H,1-3H3.
What are the key properties of 4-tert-butyl-1-cyclopropylpyrazole;4-tert-butyl-1-(4,4-difluorocyclohexyl)pyrazole;4-tert-butyl-1-(difluoromethyl)pyrazole;2-tert-butyl-5-(3,3-dimethylazetidin-1-yl)pyridine;4-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(oxan-4-yl)pyrazole;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;1-(4-tert-butylpyrazol-1-yl)-2-methylpropan-2-ol;4-(4-tert-butylpyrazol-1-yl)pyridine;2-tert-butylpyridine;1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine;1-(6-tert-butyl-3-pyridinyl)-4-methylpiperazine?
4-tert-butyl-1-cyclopropylpyrazole;4-tert-butyl-1-(4,4-difluorocyclohexyl)pyrazole;4-tert-butyl-1-(difluoromethyl)pyrazole;2-tert-butyl-5-(3,3-dimethylazetidin-1-yl)pyridine;4-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(oxan-4-yl)pyrazole;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;1-(4-tert-butylpyrazol-1-yl)-2-methylpropan-2-ol;4-(4-tert-butylpyrazol-1-yl)pyridine;2-tert-butylpyridine;1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine;1-(6-tert-butyl-3-pyridinyl)-4-methylpiperazine has a molecular weight of 2617.84 g/mol, XLogP of 32.10, 15 rotatable bonds, 1 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-cyclopropylpyrazole;4-tert-butyl-1-(4,4-difluorocyclohexyl)pyrazole;4-tert-butyl-1-(difluoromethyl)pyrazole;2-tert-butyl-5-(3,3-dimethylazetidin-1-yl)pyridine;4-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(oxan-4-yl)pyrazole;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;1-(4-tert-butylpyrazol-1-yl)-2-methylpropan-2-ol;4-(4-tert-butylpyrazol-1-yl)pyridine;2-tert-butylpyridine;1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine;1-(6-tert-butyl-3-pyridinyl)-4-methylpiperazine is sourced from PubChem (CID 163857492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).