3,5-dimethyl-1,4-di(propan-2-yl)pyrazole;1,4-dimethyl-5-propan-2-ylimidazole;2,5-dimethyl-1-propan-2-ylimidazole;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;1-ethyl-3,5-dimethyl-4-propan-2-ylpyrazole;1,3,5-trimethyl-4-propan-2-ylpyrazole

C70H122N14OS — CID 167650340

IUPAC3,5-dimethyl-1,4-di(propan-2-yl)pyrazole;1,4-dimethyl-5-propan-2-ylimidazole;2,5-dimethyl-1-propan-2-ylimidazole;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;1-ethyl-3,5-dimethyl-4-propan-2-ylpyrazole;1,3,5-trimethyl-4-propan-2-ylpyrazole
SMILESCCn1nc(C)c(C(C)C)c1C.Cc1cnc(C)n1C(C)C.Cc1n[nH]c(C)c1C(C)C.Cc1ncn(C)c1C(C)C.Cc1nn(C(C)C)c(C)c1C(C)C.Cc1nn(C)c(C)c1C(C)C.Cc1noc(C)c1C(C)C.Cc1nsc(C)c1C(C)C
InChIInChI=1S/C11H20N2.C10H18N2.C9H16N2.3C8H14N2.C8H13NO.C8H13NS/c1-7(2)11-9(5)12-13(8(3)4)10(11)6;1-6-12-9(5)10(7(2)3)8(4)11-12;1-6(2)9-7(3)10-11(5)8(9)4;1-6(2)8-7(3)9-5-10(8)4;1-6(2)10-7(3)5-9-8(10)4;3*1-5(2)8-6(3)9-10-7(8)4/h7-8H,1-6H3;7H,6H2,1-5H3;6H,1-5H3;2*5-6H,1-4H3;5H,1-4H3,(H,9,10);2*5H,1-4H3
InChIKeyQMHSXEXSUQQUJR-UHFFFAOYSA-N
MW1207.91 g/mol
LogP19.39
Rot. Bonds10

About 3,5-dimethyl-1,4-di(propan-2-yl)pyrazole;1,4-dimethyl-5-propan-2-ylimidazole;2,5-dimethyl-1-propan-2-ylimidazole;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;1-ethyl-3,5-dimethyl-4-propan-2-ylpyrazole;1,3,5-trimethyl-4-propan-2-ylpyrazole

3,5-dimethyl-1,4-di(propan-2-yl)pyrazole;1,4-dimethyl-5-propan-2-ylimidazole;2,5-dimethyl-1-propan-2-ylimidazole;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;1-ethyl-3,5-dimethyl-4-propan-2-ylpyrazole;1,3,5-trimethyl-4-propan-2-ylpyrazole (PubChem CID 167650340) has the molecular formula C70H122N14OS and a molecular weight of 1207.91 g/mol. Its IUPAC name is 3,5-dimethyl-1,4-di(propan-2-yl)pyrazole;1,4-dimethyl-5-propan-2-ylimidazole;2,5-dimethyl-1-propan-2-ylimidazole;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;1-ethyl-3,5-dimethyl-4-propan-2-ylpyrazole;1,3,5-trimethyl-4-propan-2-ylpyrazole.

Molecular Properties

Compound Name3,5-dimethyl-1,4-di(propan-2-yl)pyrazole;1,4-dimethyl-5-propan-2-ylimidazole;2,5-dimethyl-1-propan-2-ylimidazole;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;1-ethyl-3,5-dimethyl-4-propan-2-ylpyrazole;1,3,5-trimethyl-4-propan-2-ylpyrazole
PubChem CID167650340
Molecular FormulaC70H122N14OS
Molecular Weight1207.91 g/mol
Exact Mass1206.96
IUPAC Name3,5-dimethyl-1,4-di(propan-2-yl)pyrazole;1,4-dimethyl-5-propan-2-ylimidazole;2,5-dimethyl-1-propan-2-ylimidazole;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;1-ethyl-3,5-dimethyl-4-propan-2-ylpyrazole;1,3,5-trimethyl-4-propan-2-ylpyrazole
SMILESCCn1nc(C)c(C(C)C)c1C.Cc1cnc(C)n1C(C)C.Cc1n[nH]c(C)c1C(C)C.Cc1ncn(C)c1C(C)C.Cc1nn(C(C)C)c(C)c1C(C)C.Cc1nn(C)c(C)c1C(C)C.Cc1noc(C)c1C(C)C.Cc1nsc(C)c1C(C)C
InChIInChI=1S/C11H20N2.C10H18N2.C9H16N2.3C8H14N2.C8H13NO.C8H13NS/c1-7(2)11-9(5)12-13(8(3)4)10(11)6;1-6-12-9(5)10(7(2)3)8(4)11-12;1-6(2)9-7(3)10-11(5)8(9)4;1-6(2)8-7(3)9-5-10(8)4;1-6(2)10-7(3)5-9-8(10)4;3*1-5(2)8-6(3)9-10-7(8)4/h7-8H,1-6H3;7H,6H2,1-5H3;6H,1-5H3;2*5-6H,1-4H3;5H,1-4H3,(H,9,10);2*5H,1-4H3
InChIKeyQMHSXEXSUQQUJR-UHFFFAOYSA-N
XLogP19.39
TPSA156.70 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds10
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001207.91
LogP ≤ 519.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

Analyze 3,5-dimethyl-1,4-di(propan-2-yl)pyrazole;1,4-dimethyl-5-propan-2-ylimidazole;2,5-dimethyl-1-propan-2-ylimidazole;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;1-ethyl-3,5-dimethyl-4-propan-2-ylpyrazole;1,3,5-trimethyl-4-propan-2-ylpyrazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1,4-di(propan-2-yl)pyrazole;1,4-dimethyl-5-propan-2-ylimidazole;2,5-dimethyl-1-propan-2-ylimidazole;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;1-ethyl-3,5-dimethyl-4-propan-2-ylpyrazole;1,3,5-trimethyl-4-propan-2-ylpyrazole?
The IUPAC name of 3,5-dimethyl-1,4-di(propan-2-yl)pyrazole;1,4-dimethyl-5-propan-2-ylimidazole;2,5-dimethyl-1-propan-2-ylimidazole;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;1-ethyl-3,5-dimethyl-4-propan-2-ylpyrazole;1,3,5-trimethyl-4-propan-2-ylpyrazole (CID 167650340) is 3,5-dimethyl-1,4-di(propan-2-yl)pyrazole;1,4-dimethyl-5-propan-2-ylimidazole;2,5-dimethyl-1-propan-2-ylimidazole;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;1-ethyl-3,5-dimethyl-4-propan-2-ylpyrazole;1,3,5-trimethyl-4-propan-2-ylpyrazole.
What is the SMILES notation for 3,5-dimethyl-1,4-di(propan-2-yl)pyrazole;1,4-dimethyl-5-propan-2-ylimidazole;2,5-dimethyl-1-propan-2-ylimidazole;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;1-ethyl-3,5-dimethyl-4-propan-2-ylpyrazole;1,3,5-trimethyl-4-propan-2-ylpyrazole?
The canonical SMILES for 3,5-dimethyl-1,4-di(propan-2-yl)pyrazole;1,4-dimethyl-5-propan-2-ylimidazole;2,5-dimethyl-1-propan-2-ylimidazole;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;1-ethyl-3,5-dimethyl-4-propan-2-ylpyrazole;1,3,5-trimethyl-4-propan-2-ylpyrazole is CCn1nc(C)c(C(C)C)c1C.Cc1cnc(C)n1C(C)C.Cc1n[nH]c(C)c1C(C)C.Cc1ncn(C)c1C(C)C.Cc1nn(C(C)C)c(C)c1C(C)C.Cc1nn(C)c(C)c1C(C)C.Cc1noc(C)c1C(C)C.Cc1nsc(C)c1C(C)C.
What is the InChIKey of 3,5-dimethyl-1,4-di(propan-2-yl)pyrazole;1,4-dimethyl-5-propan-2-ylimidazole;2,5-dimethyl-1-propan-2-ylimidazole;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;1-ethyl-3,5-dimethyl-4-propan-2-ylpyrazole;1,3,5-trimethyl-4-propan-2-ylpyrazole?
The InChIKey is QMHSXEXSUQQUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2.C10H18N2.C9H16N2.3C8H14N2.C8H13NO.C8H13NS/c1-7(2)11-9(5)12-13(8(3)4)10(11)6;1-6-12-9(5)10(7(2)3)8(4)11-12;1-6(2)9-7(3)10-11(5)8(9)4;1-6(2)8-7(3)9-5-10(8)4;1-6(2)10-7(3)5-9-8(10)4;3*1-5(2)8-6(3)9-10-7(8)4/h7-8H,1-6H3;7H,6H2,1-5H3;6H,1-5H3;2*5-6H,1-4H3;5H,1-4H3,(H,9,10);2*5H,1-4H3.
What are the key properties of 3,5-dimethyl-1,4-di(propan-2-yl)pyrazole;1,4-dimethyl-5-propan-2-ylimidazole;2,5-dimethyl-1-propan-2-ylimidazole;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;1-ethyl-3,5-dimethyl-4-propan-2-ylpyrazole;1,3,5-trimethyl-4-propan-2-ylpyrazole?
3,5-dimethyl-1,4-di(propan-2-yl)pyrazole;1,4-dimethyl-5-propan-2-ylimidazole;2,5-dimethyl-1-propan-2-ylimidazole;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;1-ethyl-3,5-dimethyl-4-propan-2-ylpyrazole;1,3,5-trimethyl-4-propan-2-ylpyrazole has a molecular weight of 1207.91 g/mol, XLogP of 19.39, 10 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1,4-di(propan-2-yl)pyrazole;1,4-dimethyl-5-propan-2-ylimidazole;2,5-dimethyl-1-propan-2-ylimidazole;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;1-ethyl-3,5-dimethyl-4-propan-2-ylpyrazole;1,3,5-trimethyl-4-propan-2-ylpyrazole is sourced from PubChem (CID 167650340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).