4-tert-butyl-1-ethyltriazole;5-tert-butyl-2-methyl-1,3-oxazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;1-(2,2-difluoropropyl)-4-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrrole;3-methyl-5-propan-2-yl-1,2-dihydroimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrrole;3-methyl-1-propan-2-yl-1,2,4-triazole;bis(1-propan-2-ylpyrazole)

C104H175F2N25O4 — CID 159534240

IUPAC4-tert-butyl-1-ethyltriazole;5-tert-butyl-2-methyl-1,3-oxazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;1-(2,2-difluoropropyl)-4-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrrole;3-methyl-5-propan-2-yl-1,2-dihydroimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrrole;3-methyl-1-propan-2-yl-1,2,4-triazole;bis(1-propan-2-ylpyrazole)
SMILESCC(C)C1=CN(C)CN1.CC(C)c1cc(C2CC2)no1.CC(C)c1cnn(C)c1.CC(C)c1cnn(CC(C)(F)F)c1.CC(C)n1cccn1.CC(C)n1cccn1.CCn1cc(C(C)(C)C)nn1.Cc1cc(C)n(C(C)C)n1.Cc1ccn(C(C)C)c1.Cc1cn(C)cc1C(C)C.Cc1coc(C(C)C)n1.Cc1ncc(C(C)(C)C)o1.Cc1ncn(C(C)C)n1.Cc1nnc(C(C)C)o1
InChIInChI=1S/C9H14F2N2.C9H13NO.C9H15N.C8H15N3.C8H14N2.C8H13NO.C8H13N.C7H14N2.C7H12N2.C7H11NO.C6H11N3.C6H10N2O.2C6H10N2/c1-7(2)8-4-12-13(5-8)6-9(3,10)11;1-6(2)9-5-8(10-11-9)7-3-4-7;1-7(2)9-6-10(4)5-8(9)3;1-5-11-6-7(9-10-11)8(2,3)4;1-6(2)10-8(4)5-7(3)9-10;1-6-9-5-7(10-6)8(2,3)4;1-7(2)9-5-4-8(3)6-9;1-6(2)7-4-9(3)5-8-7;1-6(2)7-4-8-9(3)5-7;1-5(2)7-8-6(3)4-9-7;1-5(2)9-4-7-6(3)8-9;1-4(2)6-8-7-5(3)9-6;2*1-6(2)8-5-3-4-7-8/h4-5,7H,6H2,1-3H3;5-7H,3-4H2,1-2H3;5-7H,1-4H3;6H,5H2,1-4H3;5-6H,1-4H3;5H,1-4H3;4-7H,1-3H3;4,6,8H,5H2,1-3H3;4-6H,1-3H3;2*4-5H,1-3H3;4H,1-3H3;2*3-6H,1-2H3
InChIKeyMDJQQSQRSXYKCK-UHFFFAOYSA-N
MW1877.71 g/mol
LogP26.35
Rot. Bonds16

About 4-tert-butyl-1-ethyltriazole;5-tert-butyl-2-methyl-1,3-oxazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;1-(2,2-difluoropropyl)-4-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrrole;3-methyl-5-propan-2-yl-1,2-dihydroimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrrole;3-methyl-1-propan-2-yl-1,2,4-triazole;bis(1-propan-2-ylpyrazole)

4-tert-butyl-1-ethyltriazole;5-tert-butyl-2-methyl-1,3-oxazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;1-(2,2-difluoropropyl)-4-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrrole;3-methyl-5-propan-2-yl-1,2-dihydroimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrrole;3-methyl-1-propan-2-yl-1,2,4-triazole;bis(1-propan-2-ylpyrazole) (PubChem CID 159534240) has the molecular formula C104H175F2N25O4 and a molecular weight of 1877.71 g/mol. Its IUPAC name is 4-tert-butyl-1-ethyltriazole;5-tert-butyl-2-methyl-1,3-oxazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;1-(2,2-difluoropropyl)-4-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrrole;3-methyl-5-propan-2-yl-1,2-dihydroimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrrole;3-methyl-1-propan-2-yl-1,2,4-triazole;bis(1-propan-2-ylpyrazole).

Molecular Properties

Compound Name4-tert-butyl-1-ethyltriazole;5-tert-butyl-2-methyl-1,3-oxazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;1-(2,2-difluoropropyl)-4-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrrole;3-methyl-5-propan-2-yl-1,2-dihydroimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrrole;3-methyl-1-propan-2-yl-1,2,4-triazole;bis(1-propan-2-ylpyrazole)
PubChem CID159534240
Molecular FormulaC104H175F2N25O4
Molecular Weight1877.71 g/mol
Exact Mass1876.42
IUPAC Name4-tert-butyl-1-ethyltriazole;5-tert-butyl-2-methyl-1,3-oxazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;1-(2,2-difluoropropyl)-4-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrrole;3-methyl-5-propan-2-yl-1,2-dihydroimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrrole;3-methyl-1-propan-2-yl-1,2,4-triazole;bis(1-propan-2-ylpyrazole)
SMILESCC(C)C1=CN(C)CN1.CC(C)c1cc(C2CC2)no1.CC(C)c1cnn(C)c1.CC(C)c1cnn(CC(C)(F)F)c1.CC(C)n1cccn1.CC(C)n1cccn1.CCn1cc(C(C)(C)C)nn1.Cc1cc(C)n(C(C)C)n1.Cc1ccn(C(C)C)c1.Cc1cn(C)cc1C(C)C.Cc1coc(C(C)C)n1.Cc1ncc(C(C)(C)C)o1.Cc1ncn(C(C)C)n1.Cc1nnc(C(C)C)o1
InChIInChI=1S/C9H14F2N2.C9H13NO.C9H15N.C8H15N3.C8H14N2.C8H13NO.C8H13N.C7H14N2.C7H12N2.C7H11NO.C6H11N3.C6H10N2O.2C6H10N2/c1-7(2)8-4-12-13(5-8)6-9(3,10)11;1-6(2)9-5-8(10-11-9)7-3-4-7;1-7(2)9-6-10(4)5-8(9)3;1-5-11-6-7(9-10-11)8(2,3)4;1-6(2)10-8(4)5-7(3)9-10;1-6-9-5-7(10-6)8(2,3)4;1-7(2)9-5-4-8(3)6-9;1-6(2)7-4-9(3)5-8-7;1-6(2)7-4-8-9(3)5-7;1-5(2)7-8-6(3)4-9-7;1-5(2)9-4-7-6(3)8-9;1-4(2)6-8-7-5(3)9-6;2*1-6(2)8-5-3-4-7-8/h4-5,7H,6H2,1-3H3;5-7H,3-4H2,1-2H3;5-7H,1-4H3;6H,5H2,1-4H3;5-6H,1-4H3;5H,1-4H3;4-7H,1-3H3;4,6,8H,5H2,1-3H3;4-6H,1-3H3;2*4-5H,1-3H3;4H,1-3H3;2*3-6H,1-2H3
InChIKeyMDJQQSQRSXYKCK-UHFFFAOYSA-N
XLogP26.35
TPSA292.66 Ų
H-Bond Donors1
H-Bond Acceptors29
Rotatable Bonds16
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001877.71
LogP ≤ 526.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1029

Analyze 4-tert-butyl-1-ethyltriazole;5-tert-butyl-2-methyl-1,3-oxazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;1-(2,2-difluoropropyl)-4-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrrole;3-methyl-5-propan-2-yl-1,2-dihydroimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrrole;3-methyl-1-propan-2-yl-1,2,4-triazole;bis(1-propan-2-ylpyrazole) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-ethyltriazole;5-tert-butyl-2-methyl-1,3-oxazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;1-(2,2-difluoropropyl)-4-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrrole;3-methyl-5-propan-2-yl-1,2-dihydroimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrrole;3-methyl-1-propan-2-yl-1,2,4-triazole;bis(1-propan-2-ylpyrazole)?
The IUPAC name of 4-tert-butyl-1-ethyltriazole;5-tert-butyl-2-methyl-1,3-oxazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;1-(2,2-difluoropropyl)-4-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrrole;3-methyl-5-propan-2-yl-1,2-dihydroimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrrole;3-methyl-1-propan-2-yl-1,2,4-triazole;bis(1-propan-2-ylpyrazole) (CID 159534240) is 4-tert-butyl-1-ethyltriazole;5-tert-butyl-2-methyl-1,3-oxazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;1-(2,2-difluoropropyl)-4-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrrole;3-methyl-5-propan-2-yl-1,2-dihydroimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrrole;3-methyl-1-propan-2-yl-1,2,4-triazole;bis(1-propan-2-ylpyrazole).
What is the SMILES notation for 4-tert-butyl-1-ethyltriazole;5-tert-butyl-2-methyl-1,3-oxazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;1-(2,2-difluoropropyl)-4-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrrole;3-methyl-5-propan-2-yl-1,2-dihydroimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrrole;3-methyl-1-propan-2-yl-1,2,4-triazole;bis(1-propan-2-ylpyrazole)?
The canonical SMILES for 4-tert-butyl-1-ethyltriazole;5-tert-butyl-2-methyl-1,3-oxazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;1-(2,2-difluoropropyl)-4-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrrole;3-methyl-5-propan-2-yl-1,2-dihydroimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrrole;3-methyl-1-propan-2-yl-1,2,4-triazole;bis(1-propan-2-ylpyrazole) is CC(C)C1=CN(C)CN1.CC(C)c1cc(C2CC2)no1.CC(C)c1cnn(C)c1.CC(C)c1cnn(CC(C)(F)F)c1.CC(C)n1cccn1.CC(C)n1cccn1.CCn1cc(C(C)(C)C)nn1.Cc1cc(C)n(C(C)C)n1.Cc1ccn(C(C)C)c1.Cc1cn(C)cc1C(C)C.Cc1coc(C(C)C)n1.Cc1ncc(C(C)(C)C)o1.Cc1ncn(C(C)C)n1.Cc1nnc(C(C)C)o1.
What is the InChIKey of 4-tert-butyl-1-ethyltriazole;5-tert-butyl-2-methyl-1,3-oxazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;1-(2,2-difluoropropyl)-4-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrrole;3-methyl-5-propan-2-yl-1,2-dihydroimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrrole;3-methyl-1-propan-2-yl-1,2,4-triazole;bis(1-propan-2-ylpyrazole)?
The InChIKey is MDJQQSQRSXYKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2.C9H13NO.C9H15N.C8H15N3.C8H14N2.C8H13NO.C8H13N.C7H14N2.C7H12N2.C7H11NO.C6H11N3.C6H10N2O.2C6H10N2/c1-7(2)8-4-12-13(5-8)6-9(3,10)11;1-6(2)9-5-8(10-11-9)7-3-4-7;1-7(2)9-6-10(4)5-8(9)3;1-5-11-6-7(9-10-11)8(2,3)4;1-6(2)10-8(4)5-7(3)9-10;1-6-9-5-7(10-6)8(2,3)4;1-7(2)9-5-4-8(3)6-9;1-6(2)7-4-9(3)5-8-7;1-6(2)7-4-8-9(3)5-7;1-5(2)7-8-6(3)4-9-7;1-5(2)9-4-7-6(3)8-9;1-4(2)6-8-7-5(3)9-6;2*1-6(2)8-5-3-4-7-8/h4-5,7H,6H2,1-3H3;5-7H,3-4H2,1-2H3;5-7H,1-4H3;6H,5H2,1-4H3;5-6H,1-4H3;5H,1-4H3;4-7H,1-3H3;4,6,8H,5H2,1-3H3;4-6H,1-3H3;2*4-5H,1-3H3;4H,1-3H3;2*3-6H,1-2H3.
What are the key properties of 4-tert-butyl-1-ethyltriazole;5-tert-butyl-2-methyl-1,3-oxazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;1-(2,2-difluoropropyl)-4-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrrole;3-methyl-5-propan-2-yl-1,2-dihydroimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrrole;3-methyl-1-propan-2-yl-1,2,4-triazole;bis(1-propan-2-ylpyrazole)?
4-tert-butyl-1-ethyltriazole;5-tert-butyl-2-methyl-1,3-oxazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;1-(2,2-difluoropropyl)-4-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrrole;3-methyl-5-propan-2-yl-1,2-dihydroimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrrole;3-methyl-1-propan-2-yl-1,2,4-triazole;bis(1-propan-2-ylpyrazole) has a molecular weight of 1877.71 g/mol, XLogP of 26.35, 16 rotatable bonds, 1 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-ethyltriazole;5-tert-butyl-2-methyl-1,3-oxazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;1-(2,2-difluoropropyl)-4-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrrole;3-methyl-5-propan-2-yl-1,2-dihydroimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrrole;3-methyl-1-propan-2-yl-1,2,4-triazole;bis(1-propan-2-ylpyrazole) is sourced from PubChem (CID 159534240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).