4-tert-butyl-1,3-dimethylpyrazole;5-tert-butyl-1,3-dimethylpyrazole;1-tert-butyl-3-methylbenzene;4-tert-butyl-3-methyl-1-propan-2-ylpyrazole;tris(4-tert-butyl-2-methylpyridine);5-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyrimidine;2-tert-butyl-6-(trifluoromethyl)pyridine

C99H154F3N13 — CID 163916356

IUPAC4-tert-butyl-1,3-dimethylpyrazole;5-tert-butyl-1,3-dimethylpyrazole;1-tert-butyl-3-methylbenzene;4-tert-butyl-3-methyl-1-propan-2-ylpyrazole;tris(4-tert-butyl-2-methylpyridine);5-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyrimidine;2-tert-butyl-6-(trifluoromethyl)pyridine
SMILESCC(C)(C)c1cccc(C(F)(F)F)n1.Cc1cc(C(C)(C)C)ccn1.Cc1cc(C(C)(C)C)ccn1.Cc1cc(C(C)(C)C)ccn1.Cc1cc(C(C)(C)C)n(C)n1.Cc1ccc(C(C)(C)C)cn1.Cc1cccc(C(C)(C)C)c1.Cc1ncc(C(C)(C)C)cn1.Cc1nn(C(C)C)cc1C(C)(C)C.Cc1nn(C)cc1C(C)(C)C
InChIInChI=1S/C11H20N2.C11H16.C10H12F3N.4C10H15N.C9H16N2.C9H14N2.C9H16N2/c1-8(2)13-7-10(9(3)12-13)11(4,5)6;1-9-6-5-7-10(8-9)11(2,3)4;1-9(2,3)7-5-4-6-8(14-7)10(11,12)13;3*1-8-7-9(5-6-11-8)10(2,3)4;1-8-5-6-9(7-11-8)10(2,3)4;1-7-8(9(2,3)4)6-11(5)10-7;1-7-10-5-8(6-11-7)9(2,3)4;1-7-6-8(9(2,3)4)11(5)10-7/h7-8H,1-6H3;5-8H,1-4H3;4-6H,1-3H3;4*5-7H,1-4H3;6H,1-5H3;5-6H,1-4H3;6H,1-5H3
InChIKeyQWOVMWUKMMWYEB-UHFFFAOYSA-N
MW1583.41 g/mol
LogP26.64
Rot. Bonds1

About 4-tert-butyl-1,3-dimethylpyrazole;5-tert-butyl-1,3-dimethylpyrazole;1-tert-butyl-3-methylbenzene;4-tert-butyl-3-methyl-1-propan-2-ylpyrazole;tris(4-tert-butyl-2-methylpyridine);5-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyrimidine;2-tert-butyl-6-(trifluoromethyl)pyridine

4-tert-butyl-1,3-dimethylpyrazole;5-tert-butyl-1,3-dimethylpyrazole;1-tert-butyl-3-methylbenzene;4-tert-butyl-3-methyl-1-propan-2-ylpyrazole;tris(4-tert-butyl-2-methylpyridine);5-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyrimidine;2-tert-butyl-6-(trifluoromethyl)pyridine (PubChem CID 163916356) has the molecular formula C99H154F3N13 and a molecular weight of 1583.41 g/mol. Its IUPAC name is 4-tert-butyl-1,3-dimethylpyrazole;5-tert-butyl-1,3-dimethylpyrazole;1-tert-butyl-3-methylbenzene;4-tert-butyl-3-methyl-1-propan-2-ylpyrazole;tris(4-tert-butyl-2-methylpyridine);5-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyrimidine;2-tert-butyl-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name4-tert-butyl-1,3-dimethylpyrazole;5-tert-butyl-1,3-dimethylpyrazole;1-tert-butyl-3-methylbenzene;4-tert-butyl-3-methyl-1-propan-2-ylpyrazole;tris(4-tert-butyl-2-methylpyridine);5-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyrimidine;2-tert-butyl-6-(trifluoromethyl)pyridine
PubChem CID163916356
Molecular FormulaC99H154F3N13
Molecular Weight1583.41 g/mol
Exact Mass1582.24
IUPAC Name4-tert-butyl-1,3-dimethylpyrazole;5-tert-butyl-1,3-dimethylpyrazole;1-tert-butyl-3-methylbenzene;4-tert-butyl-3-methyl-1-propan-2-ylpyrazole;tris(4-tert-butyl-2-methylpyridine);5-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyrimidine;2-tert-butyl-6-(trifluoromethyl)pyridine
SMILESCC(C)(C)c1cccc(C(F)(F)F)n1.Cc1cc(C(C)(C)C)ccn1.Cc1cc(C(C)(C)C)ccn1.Cc1cc(C(C)(C)C)ccn1.Cc1cc(C(C)(C)C)n(C)n1.Cc1ccc(C(C)(C)C)cn1.Cc1cccc(C(C)(C)C)c1.Cc1ncc(C(C)(C)C)cn1.Cc1nn(C(C)C)cc1C(C)(C)C.Cc1nn(C)cc1C(C)(C)C
InChIInChI=1S/C11H20N2.C11H16.C10H12F3N.4C10H15N.C9H16N2.C9H14N2.C9H16N2/c1-8(2)13-7-10(9(3)12-13)11(4,5)6;1-9-6-5-7-10(8-9)11(2,3)4;1-9(2,3)7-5-4-6-8(14-7)10(11,12)13;3*1-8-7-9(5-6-11-8)10(2,3)4;1-8-5-6-9(7-11-8)10(2,3)4;1-7-8(9(2,3)4)6-11(5)10-7;1-7-10-5-8(6-11-7)9(2,3)4;1-7-6-8(9(2,3)4)11(5)10-7/h7-8H,1-6H3;5-8H,1-4H3;4-6H,1-3H3;4*5-7H,1-4H3;6H,1-5H3;5-6H,1-4H3;6H,1-5H3
InChIKeyQWOVMWUKMMWYEB-UHFFFAOYSA-N
XLogP26.64
TPSA143.69 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds1
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001583.41
LogP ≤ 526.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 4-tert-butyl-1,3-dimethylpyrazole;5-tert-butyl-1,3-dimethylpyrazole;1-tert-butyl-3-methylbenzene;4-tert-butyl-3-methyl-1-propan-2-ylpyrazole;tris(4-tert-butyl-2-methylpyridine);5-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyrimidine;2-tert-butyl-6-(trifluoromethyl)pyridine with MolForge

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Launch Full Analysis

Related Compounds

4-[4-[5-[2-(4-Fluorophenyl)propan-2-yl]pyrimidin-2-yl]piperazin-1-yl]-7-(1-methylpyrazol-4-yl)pyrazolo[1,5-a][1,3,5]triazine
CID 118032878
N-[(3,3-difluorocyclobutyl)methyl]-N-methyl-5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine
CID 121357841
US10023570, Example 743
CID 124200505
US10906905, Example 38
CID 134439630
US10954216, Example 167
CID 146222566
3-[4-[5-[Difluoro-(4-fluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine
CID 168264555
3-[3,5-Bis(trifluoromethyl)phenyl]-1-methylpyrazolo[5,4-b]pyridine
CID 139205112
B3PyMPM
CID 58556437
4,6-Bis(3,5-di(pyridin-4-yl)phenyl)-2-methylpyrimidine
CID 67967165
N-[(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-N-methyl-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 72112225
5-(2,5-diaza-bicyclo[2.2.1]hept-2-yl)-8-(3-(trifluoromethyl)phenyl)-7-(2-(1(S)-phenylethyl)amino-4-pyridyl)-1,2,4-triazolo[4,3-c]pyrimidine
CID 10311940
4-[5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl]-N-(1-phenylethyl)pyridin-2-amine
CID 22346645

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1,3-dimethylpyrazole;5-tert-butyl-1,3-dimethylpyrazole;1-tert-butyl-3-methylbenzene;4-tert-butyl-3-methyl-1-propan-2-ylpyrazole;tris(4-tert-butyl-2-methylpyridine);5-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyrimidine;2-tert-butyl-6-(trifluoromethyl)pyridine?
The IUPAC name of 4-tert-butyl-1,3-dimethylpyrazole;5-tert-butyl-1,3-dimethylpyrazole;1-tert-butyl-3-methylbenzene;4-tert-butyl-3-methyl-1-propan-2-ylpyrazole;tris(4-tert-butyl-2-methylpyridine);5-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyrimidine;2-tert-butyl-6-(trifluoromethyl)pyridine (CID 163916356) is 4-tert-butyl-1,3-dimethylpyrazole;5-tert-butyl-1,3-dimethylpyrazole;1-tert-butyl-3-methylbenzene;4-tert-butyl-3-methyl-1-propan-2-ylpyrazole;tris(4-tert-butyl-2-methylpyridine);5-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyrimidine;2-tert-butyl-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 4-tert-butyl-1,3-dimethylpyrazole;5-tert-butyl-1,3-dimethylpyrazole;1-tert-butyl-3-methylbenzene;4-tert-butyl-3-methyl-1-propan-2-ylpyrazole;tris(4-tert-butyl-2-methylpyridine);5-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyrimidine;2-tert-butyl-6-(trifluoromethyl)pyridine?
The canonical SMILES for 4-tert-butyl-1,3-dimethylpyrazole;5-tert-butyl-1,3-dimethylpyrazole;1-tert-butyl-3-methylbenzene;4-tert-butyl-3-methyl-1-propan-2-ylpyrazole;tris(4-tert-butyl-2-methylpyridine);5-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyrimidine;2-tert-butyl-6-(trifluoromethyl)pyridine is CC(C)(C)c1cccc(C(F)(F)F)n1.Cc1cc(C(C)(C)C)ccn1.Cc1cc(C(C)(C)C)ccn1.Cc1cc(C(C)(C)C)ccn1.Cc1cc(C(C)(C)C)n(C)n1.Cc1ccc(C(C)(C)C)cn1.Cc1cccc(C(C)(C)C)c1.Cc1ncc(C(C)(C)C)cn1.Cc1nn(C(C)C)cc1C(C)(C)C.Cc1nn(C)cc1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-1,3-dimethylpyrazole;5-tert-butyl-1,3-dimethylpyrazole;1-tert-butyl-3-methylbenzene;4-tert-butyl-3-methyl-1-propan-2-ylpyrazole;tris(4-tert-butyl-2-methylpyridine);5-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyrimidine;2-tert-butyl-6-(trifluoromethyl)pyridine?
The InChIKey is QWOVMWUKMMWYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2.C11H16.C10H12F3N.4C10H15N.C9H16N2.C9H14N2.C9H16N2/c1-8(2)13-7-10(9(3)12-13)11(4,5)6;1-9-6-5-7-10(8-9)11(2,3)4;1-9(2,3)7-5-4-6-8(14-7)10(11,12)13;3*1-8-7-9(5-6-11-8)10(2,3)4;1-8-5-6-9(7-11-8)10(2,3)4;1-7-8(9(2,3)4)6-11(5)10-7;1-7-10-5-8(6-11-7)9(2,3)4;1-7-6-8(9(2,3)4)11(5)10-7/h7-8H,1-6H3;5-8H,1-4H3;4-6H,1-3H3;4*5-7H,1-4H3;6H,1-5H3;5-6H,1-4H3;6H,1-5H3.
What are the key properties of 4-tert-butyl-1,3-dimethylpyrazole;5-tert-butyl-1,3-dimethylpyrazole;1-tert-butyl-3-methylbenzene;4-tert-butyl-3-methyl-1-propan-2-ylpyrazole;tris(4-tert-butyl-2-methylpyridine);5-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyrimidine;2-tert-butyl-6-(trifluoromethyl)pyridine?
4-tert-butyl-1,3-dimethylpyrazole;5-tert-butyl-1,3-dimethylpyrazole;1-tert-butyl-3-methylbenzene;4-tert-butyl-3-methyl-1-propan-2-ylpyrazole;tris(4-tert-butyl-2-methylpyridine);5-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyrimidine;2-tert-butyl-6-(trifluoromethyl)pyridine has a molecular weight of 1583.41 g/mol, XLogP of 26.64, 1 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1,3-dimethylpyrazole;5-tert-butyl-1,3-dimethylpyrazole;1-tert-butyl-3-methylbenzene;4-tert-butyl-3-methyl-1-propan-2-ylpyrazole;tris(4-tert-butyl-2-methylpyridine);5-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyrimidine;2-tert-butyl-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 163916356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).