3-tert-butyl-5-cyclopropyl-1-ethylpyrazole;3-tert-butyl-5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazole;5-tert-butyl-3-(4-fluorophenyl)-1H-pyrazole;5-tert-butyl-3-methoxy-1H-pyrazole;3-tert-butyl-1-(oxan-4-yl)pyrazole;3-tert-butyl-5-(oxan-4-yl)-1H-pyrazole;3-tert-butyl-5-(oxolan-2-yl)-1H-pyrazole;5-tert-butyl-3-propan-2-yloxy-1H-pyrazole;4-(5-tert-butyl-1H-pyrazol-3-yl)morpholine;4-(3-tert-butyl-1H-pyrazol-5-yl)piperidine;4-(5-tert-butyl-1H-pyrazol-3-yl)pyridine;5-tert-butyl-3-pyrrolidin-1-yl-1H-pyrazole;5-tert-butyl-3-thiophen-2-yl-1H-pyrazole;3-tert-butyl-5-(trifluoromethyl)-1H-pyrazole

C160H248F4N32O8S — CID 159387205

IUPAC3-tert-butyl-5-cyclopropyl-1-ethylpyrazole;3-tert-butyl-5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazole;5-tert-butyl-3-(4-fluorophenyl)-1H-pyrazole;5-tert-butyl-3-methoxy-1H-pyrazole;3-tert-butyl-1-(oxan-4-yl)pyrazole;3-tert-butyl-5-(oxan-4-yl)-1H-pyrazole;3-tert-butyl-5-(oxolan-2-yl)-1H-pyrazole;5-tert-butyl-3-propan-2-yloxy-1H-pyrazole;4-(5-tert-butyl-1H-pyrazol-3-yl)morpholine;4-(3-tert-butyl-1H-pyrazol-5-yl)piperidine;4-(5-tert-butyl-1H-pyrazol-3-yl)pyridine;5-tert-butyl-3-pyrrolidin-1-yl-1H-pyrazole;5-tert-butyl-3-thiophen-2-yl-1H-pyrazole;3-tert-butyl-5-(trifluoromethyl)-1H-pyrazole
SMILESCC(C)(C)c1cc(-c2ccc(F)cc2)n[nH]1.CC(C)(C)c1cc(-c2cccs2)n[nH]1.CC(C)(C)c1cc(-c2ccncc2)n[nH]1.CC(C)(C)c1cc(C(F)(F)F)[nH]n1.CC(C)(C)c1cc(C2CCCO2)[nH]n1.CC(C)(C)c1cc(C2CCNCC2)[nH]n1.CC(C)(C)c1cc(C2CCOCC2)[nH]n1.CC(C)(C)c1cc(N2CCCC2)n[nH]1.CC(C)(C)c1cc(N2CCOCC2)n[nH]1.CC(C)(C)c1ccn(C2CCOCC2)n1.CC(C)Oc1cc(C(C)(C)C)[nH]n1.CCn1nc(C(C)(C)C)cc1C1CC1.COc1cc(C(C)(C)C)[nH]n1.COc1cc(CCc2cc(C(C)(C)C)n[nH]2)cc(OC)c1
InChIInChI=1S/C17H24N2O2.C13H15FN2.C12H21N3.C12H15N3.2C12H20N2O.C12H20N2.C11H19N3O.C11H19N3.C11H18N2O.C11H14N2S.C10H18N2O.C8H11F3N2.C8H14N2O/c1-17(2,3)16-10-13(18-19-16)7-6-12-8-14(20-4)11-15(9-12)21-5;1-13(2,3)12-8-11(15-16-12)9-4-6-10(14)7-5-9;2*1-12(2,3)11-8-10(14-15-11)9-4-6-13-7-5-9;1-12(2,3)11-4-7-14(13-11)10-5-8-15-9-6-10;1-12(2,3)11-8-10(13-14-11)9-4-6-15-7-5-9;1-5-14-10(9-6-7-9)8-11(13-14)12(2,3)4;1-11(2,3)9-8-10(13-12-9)14-4-6-15-7-5-14;1-11(2,3)9-8-10(13-12-9)14-6-4-5-7-14;2*1-11(2,3)10-7-8(12-13-10)9-5-4-6-14-9;1-7(2)13-9-6-8(11-12-9)10(3,4)5;1-7(2,3)5-4-6(13-12-5)8(9,10)11;1-8(2,3)6-5-7(11-4)10-9-6/h8-11H,6-7H2,1-5H3,(H,18,19);4-8H,1-3H3,(H,15,16);8-9,13H,4-7H2,1-3H3,(H,14,15);4-8H,1-3H3,(H,14,15);4,7,10H,5-6,8-9H2,1-3H3;8-9H,4-7H2,1-3H3,(H,13,14);8-9H,5-7H2,1-4H3;8H,4-7H2,1-3H3,(H,12,13);8H,4-7H2,1-3H3,(H,12,13);7,9H,4-6H2,1-3H3,(H,12,13);4-7H,1-3H3,(H,12,13);6-7H,1-5H3,(H,11,12);4H,1-3H3,(H,12,13);5H,1-4H3,(H,9,10)
InChIKeyLLQMCOQOIASXLZ-UHFFFAOYSA-N
MW2856.02 g/mol
LogP36.96
Rot. Bonds19

About 3-tert-butyl-5-cyclopropyl-1-ethylpyrazole;3-tert-butyl-5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazole;5-tert-butyl-3-(4-fluorophenyl)-1H-pyrazole;5-tert-butyl-3-methoxy-1H-pyrazole;3-tert-butyl-1-(oxan-4-yl)pyrazole;3-tert-butyl-5-(oxan-4-yl)-1H-pyrazole;3-tert-butyl-5-(oxolan-2-yl)-1H-pyrazole;5-tert-butyl-3-propan-2-yloxy-1H-pyrazole;4-(5-tert-butyl-1H-pyrazol-3-yl)morpholine;4-(3-tert-butyl-1H-pyrazol-5-yl)piperidine;4-(5-tert-butyl-1H-pyrazol-3-yl)pyridine;5-tert-butyl-3-pyrrolidin-1-yl-1H-pyrazole;5-tert-butyl-3-thiophen-2-yl-1H-pyrazole;3-tert-butyl-5-(trifluoromethyl)-1H-pyrazole

3-tert-butyl-5-cyclopropyl-1-ethylpyrazole;3-tert-butyl-5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazole;5-tert-butyl-3-(4-fluorophenyl)-1H-pyrazole;5-tert-butyl-3-methoxy-1H-pyrazole;3-tert-butyl-1-(oxan-4-yl)pyrazole;3-tert-butyl-5-(oxan-4-yl)-1H-pyrazole;3-tert-butyl-5-(oxolan-2-yl)-1H-pyrazole;5-tert-butyl-3-propan-2-yloxy-1H-pyrazole;4-(5-tert-butyl-1H-pyrazol-3-yl)morpholine;4-(3-tert-butyl-1H-pyrazol-5-yl)piperidine;4-(5-tert-butyl-1H-pyrazol-3-yl)pyridine;5-tert-butyl-3-pyrrolidin-1-yl-1H-pyrazole;5-tert-butyl-3-thiophen-2-yl-1H-pyrazole;3-tert-butyl-5-(trifluoromethyl)-1H-pyrazole (PubChem CID 159387205) has the molecular formula C160H248F4N32O8S and a molecular weight of 2856.02 g/mol. Its IUPAC name is 3-tert-butyl-5-cyclopropyl-1-ethylpyrazole;3-tert-butyl-5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazole;5-tert-butyl-3-(4-fluorophenyl)-1H-pyrazole;5-tert-butyl-3-methoxy-1H-pyrazole;3-tert-butyl-1-(oxan-4-yl)pyrazole;3-tert-butyl-5-(oxan-4-yl)-1H-pyrazole;3-tert-butyl-5-(oxolan-2-yl)-1H-pyrazole;5-tert-butyl-3-propan-2-yloxy-1H-pyrazole;4-(5-tert-butyl-1H-pyrazol-3-yl)morpholine;4-(3-tert-butyl-1H-pyrazol-5-yl)piperidine;4-(5-tert-butyl-1H-pyrazol-3-yl)pyridine;5-tert-butyl-3-pyrrolidin-1-yl-1H-pyrazole;5-tert-butyl-3-thiophen-2-yl-1H-pyrazole;3-tert-butyl-5-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name3-tert-butyl-5-cyclopropyl-1-ethylpyrazole;3-tert-butyl-5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazole;5-tert-butyl-3-(4-fluorophenyl)-1H-pyrazole;5-tert-butyl-3-methoxy-1H-pyrazole;3-tert-butyl-1-(oxan-4-yl)pyrazole;3-tert-butyl-5-(oxan-4-yl)-1H-pyrazole;3-tert-butyl-5-(oxolan-2-yl)-1H-pyrazole;5-tert-butyl-3-propan-2-yloxy-1H-pyrazole;4-(5-tert-butyl-1H-pyrazol-3-yl)morpholine;4-(3-tert-butyl-1H-pyrazol-5-yl)piperidine;4-(5-tert-butyl-1H-pyrazol-3-yl)pyridine;5-tert-butyl-3-pyrrolidin-1-yl-1H-pyrazole;5-tert-butyl-3-thiophen-2-yl-1H-pyrazole;3-tert-butyl-5-(trifluoromethyl)-1H-pyrazole
PubChem CID159387205
Molecular FormulaC160H248F4N32O8S
Molecular Weight2856.02 g/mol
Exact Mass2853.96
IUPAC Name3-tert-butyl-5-cyclopropyl-1-ethylpyrazole;3-tert-butyl-5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazole;5-tert-butyl-3-(4-fluorophenyl)-1H-pyrazole;5-tert-butyl-3-methoxy-1H-pyrazole;3-tert-butyl-1-(oxan-4-yl)pyrazole;3-tert-butyl-5-(oxan-4-yl)-1H-pyrazole;3-tert-butyl-5-(oxolan-2-yl)-1H-pyrazole;5-tert-butyl-3-propan-2-yloxy-1H-pyrazole;4-(5-tert-butyl-1H-pyrazol-3-yl)morpholine;4-(3-tert-butyl-1H-pyrazol-5-yl)piperidine;4-(5-tert-butyl-1H-pyrazol-3-yl)pyridine;5-tert-butyl-3-pyrrolidin-1-yl-1H-pyrazole;5-tert-butyl-3-thiophen-2-yl-1H-pyrazole;3-tert-butyl-5-(trifluoromethyl)-1H-pyrazole
SMILESCC(C)(C)c1cc(-c2ccc(F)cc2)n[nH]1.CC(C)(C)c1cc(-c2cccs2)n[nH]1.CC(C)(C)c1cc(-c2ccncc2)n[nH]1.CC(C)(C)c1cc(C(F)(F)F)[nH]n1.CC(C)(C)c1cc(C2CCCO2)[nH]n1.CC(C)(C)c1cc(C2CCNCC2)[nH]n1.CC(C)(C)c1cc(C2CCOCC2)[nH]n1.CC(C)(C)c1cc(N2CCCC2)n[nH]1.CC(C)(C)c1cc(N2CCOCC2)n[nH]1.CC(C)(C)c1ccn(C2CCOCC2)n1.CC(C)Oc1cc(C(C)(C)C)[nH]n1.CCn1nc(C(C)(C)C)cc1C1CC1.COc1cc(C(C)(C)C)[nH]n1.COc1cc(CCc2cc(C(C)(C)C)n[nH]2)cc(OC)c1
InChIInChI=1S/C17H24N2O2.C13H15FN2.C12H21N3.C12H15N3.2C12H20N2O.C12H20N2.C11H19N3O.C11H19N3.C11H18N2O.C11H14N2S.C10H18N2O.C8H11F3N2.C8H14N2O/c1-17(2,3)16-10-13(18-19-16)7-6-12-8-14(20-4)11-15(9-12)21-5;1-13(2,3)12-8-11(15-16-12)9-4-6-10(14)7-5-9;2*1-12(2,3)11-8-10(14-15-11)9-4-6-13-7-5-9;1-12(2,3)11-4-7-14(13-11)10-5-8-15-9-6-10;1-12(2,3)11-8-10(13-14-11)9-4-6-15-7-5-9;1-5-14-10(9-6-7-9)8-11(13-14)12(2,3)4;1-11(2,3)9-8-10(13-12-9)14-4-6-15-7-5-14;1-11(2,3)9-8-10(13-12-9)14-6-4-5-7-14;2*1-11(2,3)10-7-8(12-13-10)9-5-4-6-14-9;1-7(2)13-9-6-8(11-12-9)10(3,4)5;1-7(2,3)5-4-6(13-12-5)8(9,10)11;1-8(2,3)6-5-7(11-4)10-9-6/h8-11H,6-7H2,1-5H3,(H,18,19);4-8H,1-3H3,(H,15,16);8-9,13H,4-7H2,1-3H3,(H,14,15);4-8H,1-3H3,(H,14,15);4,7,10H,5-6,8-9H2,1-3H3;8-9H,4-7H2,1-3H3,(H,13,14);8-9H,5-7H2,1-4H3;8H,4-7H2,1-3H3,(H,12,13);8H,4-7H2,1-3H3,(H,12,13);7,9H,4-6H2,1-3H3,(H,12,13);4-7H,1-3H3,(H,12,13);6-7H,1-5H3,(H,11,12);4H,1-3H3,(H,12,13);5H,1-4H3,(H,9,10)
InChIKeyLLQMCOQOIASXLZ-UHFFFAOYSA-N
XLogP36.96
TPSA485.04 Ų
H-Bond Donors13
H-Bond Acceptors29
Rotatable Bonds19
Heavy Atoms205
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002856.02
LogP ≤ 536.96
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1029

Analyze 3-tert-butyl-5-cyclopropyl-1-ethylpyrazole;3-tert-butyl-5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazole;5-tert-butyl-3-(4-fluorophenyl)-1H-pyrazole;5-tert-butyl-3-methoxy-1H-pyrazole;3-tert-butyl-1-(oxan-4-yl)pyrazole;3-tert-butyl-5-(oxan-4-yl)-1H-pyrazole;3-tert-butyl-5-(oxolan-2-yl)-1H-pyrazole;5-tert-butyl-3-propan-2-yloxy-1H-pyrazole;4-(5-tert-butyl-1H-pyrazol-3-yl)morpholine;4-(3-tert-butyl-1H-pyrazol-5-yl)piperidine;4-(5-tert-butyl-1H-pyrazol-3-yl)pyridine;5-tert-butyl-3-pyrrolidin-1-yl-1H-pyrazole;5-tert-butyl-3-thiophen-2-yl-1H-pyrazole;3-tert-butyl-5-(trifluoromethyl)-1H-pyrazole with MolForge

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Related Compounds

5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol;6-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;3-methoxy-4-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol;3-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;3-[4-(1H-pyrazol-4-yl)thiophen-2-yl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;3-[5-(1H-pyrazol-4-yl)thiophen-2-yl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine
CID 158071699
3-[4-[3-Fluoro-5-[2-(1-methylpyrrol-2-yl)ethyl]phenoxy]phenyl]-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;3-[2-fluoro-4-[3-[(5-methylthiophen-2-yl)methoxy]phenoxy]phenyl]-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;3-[4-[3-fluoro-5-(pyridin-2-ylmethoxy)phenoxy]phenyl]-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;3-[4-[3-fluoro-5-(pyridin-3-ylmethoxy)phenoxy]phenyl]-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 161032443
3-tert-butyl-5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazole;3-tert-butyl-5-ethyl-1H-pyrazole;5-tert-butyl-3-(3-fluorophenyl)-1H-pyrazole;5-tert-butyl-3-(3-methoxyphenyl)-1H-pyrazole;5-tert-butyl-3-methoxy-1H-pyrazole;4-(3-tert-butyl-5-methylpyrazol-1-yl)-1-methylpiperidine;3-tert-butyl-5-(oxolan-2-yl)-1H-pyrazole;5-tert-butyl-3-propan-2-yloxy-1H-pyrazole;3-tert-butyl-5-propyl-1H-pyrazole;4-(5-tert-butyl-1H-pyrazol-3-yl)morpholine;2-(5-tert-butyl-1H-pyrazol-3-yl)pyridine;3-(5-tert-butyl-1H-pyrazol-3-yl)pyridine;4-(5-tert-butyl-1H-pyrazol-3-yl)pyridine;5-tert-butyl-3-thiophen-2-yl-1H-pyrazole;3,5-ditert-butyl-1H-pyrazole
CID 161728555
3-[4-[3-[(1-Cyclopentylpyrrol-2-yl)methoxy]-5-fluorophenoxy]phenyl]-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;3-[4-[3-fluoro-5-[(1-methylpyrrol-2-yl)methoxy]phenoxy]phenyl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;3-[4-[3-fluoro-5-[(5-methylthiophen-2-yl)methoxy]phenoxy]phenyl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;3-[4-[3-fluoro-5-(2-phenylethyl)phenoxy]phenyl]-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 161950988
2-[6-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-(8-azabicyclo[3.2.1]oct-2-en-3-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;6-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;3-[2,5-difluoro-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;2-[6-(2,6-dimethylpiperidin-4-yl)oxypyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;3-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;6-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;3-[4-(1-methylpyrazol-4-yl)thiophen-2-yl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;2-(6-piperidin-4-yloxypyridazin-3-yl)-5-(1H-pyrazol-4-yl)phenol;3-[4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine
CID 162037143

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-cyclopropyl-1-ethylpyrazole;3-tert-butyl-5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazole;5-tert-butyl-3-(4-fluorophenyl)-1H-pyrazole;5-tert-butyl-3-methoxy-1H-pyrazole;3-tert-butyl-1-(oxan-4-yl)pyrazole;3-tert-butyl-5-(oxan-4-yl)-1H-pyrazole;3-tert-butyl-5-(oxolan-2-yl)-1H-pyrazole;5-tert-butyl-3-propan-2-yloxy-1H-pyrazole;4-(5-tert-butyl-1H-pyrazol-3-yl)morpholine;4-(3-tert-butyl-1H-pyrazol-5-yl)piperidine;4-(5-tert-butyl-1H-pyrazol-3-yl)pyridine;5-tert-butyl-3-pyrrolidin-1-yl-1H-pyrazole;5-tert-butyl-3-thiophen-2-yl-1H-pyrazole;3-tert-butyl-5-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 3-tert-butyl-5-cyclopropyl-1-ethylpyrazole;3-tert-butyl-5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazole;5-tert-butyl-3-(4-fluorophenyl)-1H-pyrazole;5-tert-butyl-3-methoxy-1H-pyrazole;3-tert-butyl-1-(oxan-4-yl)pyrazole;3-tert-butyl-5-(oxan-4-yl)-1H-pyrazole;3-tert-butyl-5-(oxolan-2-yl)-1H-pyrazole;5-tert-butyl-3-propan-2-yloxy-1H-pyrazole;4-(5-tert-butyl-1H-pyrazol-3-yl)morpholine;4-(3-tert-butyl-1H-pyrazol-5-yl)piperidine;4-(5-tert-butyl-1H-pyrazol-3-yl)pyridine;5-tert-butyl-3-pyrrolidin-1-yl-1H-pyrazole;5-tert-butyl-3-thiophen-2-yl-1H-pyrazole;3-tert-butyl-5-(trifluoromethyl)-1H-pyrazole (CID 159387205) is 3-tert-butyl-5-cyclopropyl-1-ethylpyrazole;3-tert-butyl-5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazole;5-tert-butyl-3-(4-fluorophenyl)-1H-pyrazole;5-tert-butyl-3-methoxy-1H-pyrazole;3-tert-butyl-1-(oxan-4-yl)pyrazole;3-tert-butyl-5-(oxan-4-yl)-1H-pyrazole;3-tert-butyl-5-(oxolan-2-yl)-1H-pyrazole;5-tert-butyl-3-propan-2-yloxy-1H-pyrazole;4-(5-tert-butyl-1H-pyrazol-3-yl)morpholine;4-(3-tert-butyl-1H-pyrazol-5-yl)piperidine;4-(5-tert-butyl-1H-pyrazol-3-yl)pyridine;5-tert-butyl-3-pyrrolidin-1-yl-1H-pyrazole;5-tert-butyl-3-thiophen-2-yl-1H-pyrazole;3-tert-butyl-5-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 3-tert-butyl-5-cyclopropyl-1-ethylpyrazole;3-tert-butyl-5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazole;5-tert-butyl-3-(4-fluorophenyl)-1H-pyrazole;5-tert-butyl-3-methoxy-1H-pyrazole;3-tert-butyl-1-(oxan-4-yl)pyrazole;3-tert-butyl-5-(oxan-4-yl)-1H-pyrazole;3-tert-butyl-5-(oxolan-2-yl)-1H-pyrazole;5-tert-butyl-3-propan-2-yloxy-1H-pyrazole;4-(5-tert-butyl-1H-pyrazol-3-yl)morpholine;4-(3-tert-butyl-1H-pyrazol-5-yl)piperidine;4-(5-tert-butyl-1H-pyrazol-3-yl)pyridine;5-tert-butyl-3-pyrrolidin-1-yl-1H-pyrazole;5-tert-butyl-3-thiophen-2-yl-1H-pyrazole;3-tert-butyl-5-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 3-tert-butyl-5-cyclopropyl-1-ethylpyrazole;3-tert-butyl-5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazole;5-tert-butyl-3-(4-fluorophenyl)-1H-pyrazole;5-tert-butyl-3-methoxy-1H-pyrazole;3-tert-butyl-1-(oxan-4-yl)pyrazole;3-tert-butyl-5-(oxan-4-yl)-1H-pyrazole;3-tert-butyl-5-(oxolan-2-yl)-1H-pyrazole;5-tert-butyl-3-propan-2-yloxy-1H-pyrazole;4-(5-tert-butyl-1H-pyrazol-3-yl)morpholine;4-(3-tert-butyl-1H-pyrazol-5-yl)piperidine;4-(5-tert-butyl-1H-pyrazol-3-yl)pyridine;5-tert-butyl-3-pyrrolidin-1-yl-1H-pyrazole;5-tert-butyl-3-thiophen-2-yl-1H-pyrazole;3-tert-butyl-5-(trifluoromethyl)-1H-pyrazole is CC(C)(C)c1cc(-c2ccc(F)cc2)n[nH]1.CC(C)(C)c1cc(-c2cccs2)n[nH]1.CC(C)(C)c1cc(-c2ccncc2)n[nH]1.CC(C)(C)c1cc(C(F)(F)F)[nH]n1.CC(C)(C)c1cc(C2CCCO2)[nH]n1.CC(C)(C)c1cc(C2CCNCC2)[nH]n1.CC(C)(C)c1cc(C2CCOCC2)[nH]n1.CC(C)(C)c1cc(N2CCCC2)n[nH]1.CC(C)(C)c1cc(N2CCOCC2)n[nH]1.CC(C)(C)c1ccn(C2CCOCC2)n1.CC(C)Oc1cc(C(C)(C)C)[nH]n1.CCn1nc(C(C)(C)C)cc1C1CC1.COc1cc(C(C)(C)C)[nH]n1.COc1cc(CCc2cc(C(C)(C)C)n[nH]2)cc(OC)c1.
What is the InChIKey of 3-tert-butyl-5-cyclopropyl-1-ethylpyrazole;3-tert-butyl-5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazole;5-tert-butyl-3-(4-fluorophenyl)-1H-pyrazole;5-tert-butyl-3-methoxy-1H-pyrazole;3-tert-butyl-1-(oxan-4-yl)pyrazole;3-tert-butyl-5-(oxan-4-yl)-1H-pyrazole;3-tert-butyl-5-(oxolan-2-yl)-1H-pyrazole;5-tert-butyl-3-propan-2-yloxy-1H-pyrazole;4-(5-tert-butyl-1H-pyrazol-3-yl)morpholine;4-(3-tert-butyl-1H-pyrazol-5-yl)piperidine;4-(5-tert-butyl-1H-pyrazol-3-yl)pyridine;5-tert-butyl-3-pyrrolidin-1-yl-1H-pyrazole;5-tert-butyl-3-thiophen-2-yl-1H-pyrazole;3-tert-butyl-5-(trifluoromethyl)-1H-pyrazole?
The InChIKey is LLQMCOQOIASXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2.C13H15FN2.C12H21N3.C12H15N3.2C12H20N2O.C12H20N2.C11H19N3O.C11H19N3.C11H18N2O.C11H14N2S.C10H18N2O.C8H11F3N2.C8H14N2O/c1-17(2,3)16-10-13(18-19-16)7-6-12-8-14(20-4)11-15(9-12)21-5;1-13(2,3)12-8-11(15-16-12)9-4-6-10(14)7-5-9;2*1-12(2,3)11-8-10(14-15-11)9-4-6-13-7-5-9;1-12(2,3)11-4-7-14(13-11)10-5-8-15-9-6-10;1-12(2,3)11-8-10(13-14-11)9-4-6-15-7-5-9;1-5-14-10(9-6-7-9)8-11(13-14)12(2,3)4;1-11(2,3)9-8-10(13-12-9)14-4-6-15-7-5-14;1-11(2,3)9-8-10(13-12-9)14-6-4-5-7-14;2*1-11(2,3)10-7-8(12-13-10)9-5-4-6-14-9;1-7(2)13-9-6-8(11-12-9)10(3,4)5;1-7(2,3)5-4-6(13-12-5)8(9,10)11;1-8(2,3)6-5-7(11-4)10-9-6/h8-11H,6-7H2,1-5H3,(H,18,19);4-8H,1-3H3,(H,15,16);8-9,13H,4-7H2,1-3H3,(H,14,15);4-8H,1-3H3,(H,14,15);4,7,10H,5-6,8-9H2,1-3H3;8-9H,4-7H2,1-3H3,(H,13,14);8-9H,5-7H2,1-4H3;8H,4-7H2,1-3H3,(H,12,13);8H,4-7H2,1-3H3,(H,12,13);7,9H,4-6H2,1-3H3,(H,12,13);4-7H,1-3H3,(H,12,13);6-7H,1-5H3,(H,11,12);4H,1-3H3,(H,12,13);5H,1-4H3,(H,9,10).
What are the key properties of 3-tert-butyl-5-cyclopropyl-1-ethylpyrazole;3-tert-butyl-5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazole;5-tert-butyl-3-(4-fluorophenyl)-1H-pyrazole;5-tert-butyl-3-methoxy-1H-pyrazole;3-tert-butyl-1-(oxan-4-yl)pyrazole;3-tert-butyl-5-(oxan-4-yl)-1H-pyrazole;3-tert-butyl-5-(oxolan-2-yl)-1H-pyrazole;5-tert-butyl-3-propan-2-yloxy-1H-pyrazole;4-(5-tert-butyl-1H-pyrazol-3-yl)morpholine;4-(3-tert-butyl-1H-pyrazol-5-yl)piperidine;4-(5-tert-butyl-1H-pyrazol-3-yl)pyridine;5-tert-butyl-3-pyrrolidin-1-yl-1H-pyrazole;5-tert-butyl-3-thiophen-2-yl-1H-pyrazole;3-tert-butyl-5-(trifluoromethyl)-1H-pyrazole?
3-tert-butyl-5-cyclopropyl-1-ethylpyrazole;3-tert-butyl-5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazole;5-tert-butyl-3-(4-fluorophenyl)-1H-pyrazole;5-tert-butyl-3-methoxy-1H-pyrazole;3-tert-butyl-1-(oxan-4-yl)pyrazole;3-tert-butyl-5-(oxan-4-yl)-1H-pyrazole;3-tert-butyl-5-(oxolan-2-yl)-1H-pyrazole;5-tert-butyl-3-propan-2-yloxy-1H-pyrazole;4-(5-tert-butyl-1H-pyrazol-3-yl)morpholine;4-(3-tert-butyl-1H-pyrazol-5-yl)piperidine;4-(5-tert-butyl-1H-pyrazol-3-yl)pyridine;5-tert-butyl-3-pyrrolidin-1-yl-1H-pyrazole;5-tert-butyl-3-thiophen-2-yl-1H-pyrazole;3-tert-butyl-5-(trifluoromethyl)-1H-pyrazole has a molecular weight of 2856.02 g/mol, XLogP of 36.96, 19 rotatable bonds, 13 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-cyclopropyl-1-ethylpyrazole;3-tert-butyl-5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazole;5-tert-butyl-3-(4-fluorophenyl)-1H-pyrazole;5-tert-butyl-3-methoxy-1H-pyrazole;3-tert-butyl-1-(oxan-4-yl)pyrazole;3-tert-butyl-5-(oxan-4-yl)-1H-pyrazole;3-tert-butyl-5-(oxolan-2-yl)-1H-pyrazole;5-tert-butyl-3-propan-2-yloxy-1H-pyrazole;4-(5-tert-butyl-1H-pyrazol-3-yl)morpholine;4-(3-tert-butyl-1H-pyrazol-5-yl)piperidine;4-(5-tert-butyl-1H-pyrazol-3-yl)pyridine;5-tert-butyl-3-pyrrolidin-1-yl-1H-pyrazole;5-tert-butyl-3-thiophen-2-yl-1H-pyrazole;3-tert-butyl-5-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 159387205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).