1-tert-butyl-4-chloro-3,5-dimethylpyrazole;1-tert-butyl-3,5-dimethylpyrazole;1-tert-butyl-3,5-dimethyl-1,2,4-triazole;2-tert-butylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;2-tert-butylpyridine;2-tert-butyl-1,3-thiazole;1-tert-butyl-3,4,5-trimethylpyrazole

C83H137ClN14O3S — CID 158978807

IUPAC1-tert-butyl-4-chloro-3,5-dimethylpyrazole;1-tert-butyl-3,5-dimethylpyrazole;1-tert-butyl-3,5-dimethyl-1,2,4-triazole;2-tert-butylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;2-tert-butylpyridine;2-tert-butyl-1,3-thiazole;1-tert-butyl-3,4,5-trimethylpyrazole
SMILESCC(C)(C)c1ccccn1.CC(C)(C)c1ccco1.CC(C)(C)c1ncco1.CC(C)(C)c1nccs1.CC(C)(C)n1cccn1.Cc1cc(C)n(C(C)(C)C)n1.Cc1ccc(C(C)(C)C)o1.Cc1nc(C)n(C(C)(C)C)n1.Cc1nn(C(C)(C)C)c(C)c1C.Cc1nn(C(C)(C)C)c(C)c1Cl
InChIInChI=1S/C10H18N2.C9H15ClN2.C9H16N2.C9H13N.C9H14O.C8H15N3.C8H12O.C7H12N2.C7H11NO.C7H11NS/c1-7-8(2)11-12(9(7)3)10(4,5)6;1-6-8(10)7(2)12(11-6)9(3,4)5;1-7-6-8(2)11(10-7)9(3,4)5;1-9(2,3)8-6-4-5-7-10-8;1-7-5-6-8(10-7)9(2,3)4;1-6-9-7(2)11(10-6)8(3,4)5;1-8(2,3)7-5-4-6-9-7;1-7(2,3)9-6-4-5-8-9;2*1-7(2,3)6-8-4-5-9-6/h1-6H3;1-5H3;6H,1-5H3;4-7H,1-3H3;5-6H,1-4H3;1-5H3;2*4-6H,1-3H3;2*4-5H,1-3H3
InChIKeyJOSRKXQNLAHMDF-UHFFFAOYSA-N
MW1446.62 g/mol
LogP23.27
Rot. Bonds

About 1-tert-butyl-4-chloro-3,5-dimethylpyrazole;1-tert-butyl-3,5-dimethylpyrazole;1-tert-butyl-3,5-dimethyl-1,2,4-triazole;2-tert-butylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;2-tert-butylpyridine;2-tert-butyl-1,3-thiazole;1-tert-butyl-3,4,5-trimethylpyrazole

1-tert-butyl-4-chloro-3,5-dimethylpyrazole;1-tert-butyl-3,5-dimethylpyrazole;1-tert-butyl-3,5-dimethyl-1,2,4-triazole;2-tert-butylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;2-tert-butylpyridine;2-tert-butyl-1,3-thiazole;1-tert-butyl-3,4,5-trimethylpyrazole (PubChem CID 158978807) has the molecular formula C83H137ClN14O3S and a molecular weight of 1446.62 g/mol. Its IUPAC name is 1-tert-butyl-4-chloro-3,5-dimethylpyrazole;1-tert-butyl-3,5-dimethylpyrazole;1-tert-butyl-3,5-dimethyl-1,2,4-triazole;2-tert-butylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;2-tert-butylpyridine;2-tert-butyl-1,3-thiazole;1-tert-butyl-3,4,5-trimethylpyrazole.

Molecular Properties

Compound Name1-tert-butyl-4-chloro-3,5-dimethylpyrazole;1-tert-butyl-3,5-dimethylpyrazole;1-tert-butyl-3,5-dimethyl-1,2,4-triazole;2-tert-butylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;2-tert-butylpyridine;2-tert-butyl-1,3-thiazole;1-tert-butyl-3,4,5-trimethylpyrazole
PubChem CID158978807
Molecular FormulaC83H137ClN14O3S
Molecular Weight1446.62 g/mol
Exact Mass1445.04
IUPAC Name1-tert-butyl-4-chloro-3,5-dimethylpyrazole;1-tert-butyl-3,5-dimethylpyrazole;1-tert-butyl-3,5-dimethyl-1,2,4-triazole;2-tert-butylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;2-tert-butylpyridine;2-tert-butyl-1,3-thiazole;1-tert-butyl-3,4,5-trimethylpyrazole
SMILESCC(C)(C)c1ccccn1.CC(C)(C)c1ccco1.CC(C)(C)c1ncco1.CC(C)(C)c1nccs1.CC(C)(C)n1cccn1.Cc1cc(C)n(C(C)(C)C)n1.Cc1ccc(C(C)(C)C)o1.Cc1nc(C)n(C(C)(C)C)n1.Cc1nn(C(C)(C)C)c(C)c1C.Cc1nn(C(C)(C)C)c(C)c1Cl
InChIInChI=1S/C10H18N2.C9H15ClN2.C9H16N2.C9H13N.C9H14O.C8H15N3.C8H12O.C7H12N2.C7H11NO.C7H11NS/c1-7-8(2)11-12(9(7)3)10(4,5)6;1-6-8(10)7(2)12(11-6)9(3,4)5;1-7-6-8(2)11(10-7)9(3,4)5;1-9(2,3)8-6-4-5-7-10-8;1-7-5-6-8(10-7)9(2,3)4;1-6-9-7(2)11(10-6)8(3,4)5;1-8(2,3)7-5-4-6-9-7;1-7(2,3)9-6-4-5-8-9;2*1-7(2,3)6-8-4-5-9-6/h1-6H3;1-5H3;6H,1-5H3;4-7H,1-3H3;5-6H,1-4H3;1-5H3;2*4-6H,1-3H3;2*4-5H,1-3H3
InChIKeyJOSRKXQNLAHMDF-UHFFFAOYSA-N
XLogP23.27
TPSA180.08 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001446.62
LogP ≤ 523.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 1-tert-butyl-4-chloro-3,5-dimethylpyrazole;1-tert-butyl-3,5-dimethylpyrazole;1-tert-butyl-3,5-dimethyl-1,2,4-triazole;2-tert-butylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;2-tert-butylpyridine;2-tert-butyl-1,3-thiazole;1-tert-butyl-3,4,5-trimethylpyrazole with MolForge

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Related Compounds

5-Tert-butyl-3-(2,2-difluoropropyl)-1,2-oxazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;5-tert-butyl-3-(1-fluoroethyl)-1,2,4-oxadiazole;2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-4-methylthiophene;1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-1,2,4-triazole;3-ethyl-5-propan-2-yl-1,2-oxazole;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine
CID 157916697
1-Benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(2,2-difluoropropyl)-1,2-oxazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;5-tert-butyl-3-(1-fluoroethyl)-1,2,4-oxadiazole;2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-4-methylthiophene;1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-1,2,4-triazole;3-ethyl-5-propan-2-yl-1,2-oxazole;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-propan-2-ylpyridine
CID 159443558
1-Benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(difluoromethyl)-1,2,4-oxadiazole;2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-4-methylthiophene;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2-oxazole;4-tert-butyl-1-(2,2,2-trifluoroethyl)pyrazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-1,2,4-triazole;3-ethyl-5-propan-2-yl-1,2-oxazole;methane;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-propan-2-ylpyridine
CID 161268836
3-(Difluoromethyl)-5-propan-2-yl-1,2,4-oxadiazole;1,3-dimethyl-4-propan-2-ylpyrazole;methane;2-methyl-5-propan-2-ylfuran;4-methyl-2-propan-2-ylfuran;4-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-thiazole;2-propan-2-yl-4-(2,2,2-trifluoroethyl)furan
CID 161732753
2,5-Dimethylfuran;1,5-dimethylpyrazole;1,2-dimethylpyrrole;2-methylfuran;2-methyl-1,3-oxazole;2-methylpyrazine;2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole
CID 157063733
Bis(1,2-dimethylimidazole);1,3-dimethylimidazol-2-one;2-methylfuran;tetrakis(1-methylpyrazole);1-methylpyrrole;bis(2-methyl-1,3-thiazole);1-methyltriazole;1,3-oxazole;tris(pyridine);1,2,3-trimethylpyrrole
CID 157201879
1,2-dimethylimidazole;1,2-dimethylpyrrole;1,3-dimethylpyrrole;2-methylfuran;3-methylfuran;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;4-methyl-2H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene;toluene
CID 157283462
tert-butylbenzene;2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-3H-pyrrole;4-tert-butyl-3H-pyrrole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;methane
CID 157288239
1,2-dimethylimidazole;1,2-dimethylpyrrole;methane;tris(2-methylcyclopenta-1,3-diene);2-methylfuran;3-methylfuran;bis(2-methyl-1,3-oxazole);2-methylpyrazine;3-methylpyridazine;bis(2-methylpyridine);3-methylpyridine;2-methylpyrimidine;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;toluene
CID 157358559
3-[3-[(E)-2-(3-chlorophenyl)ethenyl]-3,4-dihydropyrazol-2-yl]-5-methyl-1,2,4-triazol-4-amine;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-(1-methylpyrrol-2-yl)methanone;(1-methylpyrrol-2-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone
CID 157488258
2,5-Dimethylfuran;1,4-dimethylimidazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;2,5-dimethylthiophene;ethane;methane;bis(1,2,4,5-tetramethylimidazole);2,4,5-trimethyl-1,3-oxazole;1,2,5-trimethylpyrrole;2,4,5-trimethyl-1,3-thiazole;2,4,5-trimethyltriazole;3,4,5-trimethyl-1,2,4-triazole
CID 157790909
CID 157796294
CID 157796294

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-chloro-3,5-dimethylpyrazole;1-tert-butyl-3,5-dimethylpyrazole;1-tert-butyl-3,5-dimethyl-1,2,4-triazole;2-tert-butylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;2-tert-butylpyridine;2-tert-butyl-1,3-thiazole;1-tert-butyl-3,4,5-trimethylpyrazole?
The IUPAC name of 1-tert-butyl-4-chloro-3,5-dimethylpyrazole;1-tert-butyl-3,5-dimethylpyrazole;1-tert-butyl-3,5-dimethyl-1,2,4-triazole;2-tert-butylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;2-tert-butylpyridine;2-tert-butyl-1,3-thiazole;1-tert-butyl-3,4,5-trimethylpyrazole (CID 158978807) is 1-tert-butyl-4-chloro-3,5-dimethylpyrazole;1-tert-butyl-3,5-dimethylpyrazole;1-tert-butyl-3,5-dimethyl-1,2,4-triazole;2-tert-butylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;2-tert-butylpyridine;2-tert-butyl-1,3-thiazole;1-tert-butyl-3,4,5-trimethylpyrazole.
What is the SMILES notation for 1-tert-butyl-4-chloro-3,5-dimethylpyrazole;1-tert-butyl-3,5-dimethylpyrazole;1-tert-butyl-3,5-dimethyl-1,2,4-triazole;2-tert-butylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;2-tert-butylpyridine;2-tert-butyl-1,3-thiazole;1-tert-butyl-3,4,5-trimethylpyrazole?
The canonical SMILES for 1-tert-butyl-4-chloro-3,5-dimethylpyrazole;1-tert-butyl-3,5-dimethylpyrazole;1-tert-butyl-3,5-dimethyl-1,2,4-triazole;2-tert-butylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;2-tert-butylpyridine;2-tert-butyl-1,3-thiazole;1-tert-butyl-3,4,5-trimethylpyrazole is CC(C)(C)c1ccccn1.CC(C)(C)c1ccco1.CC(C)(C)c1ncco1.CC(C)(C)c1nccs1.CC(C)(C)n1cccn1.Cc1cc(C)n(C(C)(C)C)n1.Cc1ccc(C(C)(C)C)o1.Cc1nc(C)n(C(C)(C)C)n1.Cc1nn(C(C)(C)C)c(C)c1C.Cc1nn(C(C)(C)C)c(C)c1Cl.
What is the InChIKey of 1-tert-butyl-4-chloro-3,5-dimethylpyrazole;1-tert-butyl-3,5-dimethylpyrazole;1-tert-butyl-3,5-dimethyl-1,2,4-triazole;2-tert-butylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;2-tert-butylpyridine;2-tert-butyl-1,3-thiazole;1-tert-butyl-3,4,5-trimethylpyrazole?
The InChIKey is JOSRKXQNLAHMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2.C9H15ClN2.C9H16N2.C9H13N.C9H14O.C8H15N3.C8H12O.C7H12N2.C7H11NO.C7H11NS/c1-7-8(2)11-12(9(7)3)10(4,5)6;1-6-8(10)7(2)12(11-6)9(3,4)5;1-7-6-8(2)11(10-7)9(3,4)5;1-9(2,3)8-6-4-5-7-10-8;1-7-5-6-8(10-7)9(2,3)4;1-6-9-7(2)11(10-6)8(3,4)5;1-8(2,3)7-5-4-6-9-7;1-7(2,3)9-6-4-5-8-9;2*1-7(2,3)6-8-4-5-9-6/h1-6H3;1-5H3;6H,1-5H3;4-7H,1-3H3;5-6H,1-4H3;1-5H3;2*4-6H,1-3H3;2*4-5H,1-3H3.
What are the key properties of 1-tert-butyl-4-chloro-3,5-dimethylpyrazole;1-tert-butyl-3,5-dimethylpyrazole;1-tert-butyl-3,5-dimethyl-1,2,4-triazole;2-tert-butylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;2-tert-butylpyridine;2-tert-butyl-1,3-thiazole;1-tert-butyl-3,4,5-trimethylpyrazole?
1-tert-butyl-4-chloro-3,5-dimethylpyrazole;1-tert-butyl-3,5-dimethylpyrazole;1-tert-butyl-3,5-dimethyl-1,2,4-triazole;2-tert-butylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;2-tert-butylpyridine;2-tert-butyl-1,3-thiazole;1-tert-butyl-3,4,5-trimethylpyrazole has a molecular weight of 1446.62 g/mol, XLogP of 23.27, 0 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-chloro-3,5-dimethylpyrazole;1-tert-butyl-3,5-dimethylpyrazole;1-tert-butyl-3,5-dimethyl-1,2,4-triazole;2-tert-butylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;2-tert-butylpyridine;2-tert-butyl-1,3-thiazole;1-tert-butyl-3,4,5-trimethylpyrazole is sourced from PubChem (CID 158978807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).