cumene;1,5-dimethyl-3-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1,2-oxazole;3-propan-2-ylfuran;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;3-propan-2-ylthiophene;2-propan-2-yl-1,3,5-triazine

C89H130N14O2S — CID 158962949

IUPACcumene;1,5-dimethyl-3-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1,2-oxazole;3-propan-2-ylfuran;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;3-propan-2-ylthiophene;2-propan-2-yl-1,3,5-triazine
SMILESCC(C)c1cc[nH]c1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1ccoc1.CC(C)c1ccsc1.CC(C)c1cnccn1.CC(C)c1ncncn1.Cc1cc(C(C)C)nn1C.Cc1cc(C(C)C)no1
InChIInChI=1S/C9H12.C8H14N2.3C8H11N.2C7H10N2.C7H11NO.C7H11N.C7H10O.C7H10S.C6H9N3/c1-8(2)9-6-4-3-5-7-9;1-6(2)8-5-7(3)10(4)9-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-5(2)7-4-6(3)9-8-7;3*1-6(2)7-3-4-8-5-7;1-5(2)6-8-3-7-4-9-6/h3-8H,1-2H3;5-6H,1-4H3;3*3-7H,1-2H3;2*3-6H,1-2H3;4-5H,1-3H3;3-6,8H,1-2H3;2*3-6H,1-2H3;3-5H,1-2H3
InChIKeyJMVRQMYDBRVRSG-UHFFFAOYSA-N
MW1460.18 g/mol
LogP24.99
Rot. Bonds12

About cumene;1,5-dimethyl-3-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1,2-oxazole;3-propan-2-ylfuran;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;3-propan-2-ylthiophene;2-propan-2-yl-1,3,5-triazine

cumene;1,5-dimethyl-3-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1,2-oxazole;3-propan-2-ylfuran;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;3-propan-2-ylthiophene;2-propan-2-yl-1,3,5-triazine (PubChem CID 158962949) has the molecular formula C89H130N14O2S and a molecular weight of 1460.18 g/mol. Its IUPAC name is cumene;1,5-dimethyl-3-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1,2-oxazole;3-propan-2-ylfuran;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;3-propan-2-ylthiophene;2-propan-2-yl-1,3,5-triazine.

Molecular Properties

Compound Namecumene;1,5-dimethyl-3-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1,2-oxazole;3-propan-2-ylfuran;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;3-propan-2-ylthiophene;2-propan-2-yl-1,3,5-triazine
PubChem CID158962949
Molecular FormulaC89H130N14O2S
Molecular Weight1460.18 g/mol
Exact Mass1459.02
IUPAC Namecumene;1,5-dimethyl-3-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1,2-oxazole;3-propan-2-ylfuran;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;3-propan-2-ylthiophene;2-propan-2-yl-1,3,5-triazine
SMILESCC(C)c1cc[nH]c1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1ccoc1.CC(C)c1ccsc1.CC(C)c1cnccn1.CC(C)c1ncncn1.Cc1cc(C(C)C)nn1C.Cc1cc(C(C)C)no1
InChIInChI=1S/C9H12.C8H14N2.3C8H11N.2C7H10N2.C7H11NO.C7H11N.C7H10O.C7H10S.C6H9N3/c1-8(2)9-6-4-3-5-7-9;1-6(2)8-5-7(3)10(4)9-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-5(2)7-4-6(3)9-8-7;3*1-6(2)7-3-4-8-5-7;1-5(2)6-8-3-7-4-9-6/h3-8H,1-2H3;5-6H,1-4H3;3*3-7H,1-2H3;2*3-6H,1-2H3;4-5H,1-3H3;3-6,8H,1-2H3;2*3-6H,1-2H3;3-5H,1-2H3
InChIKeyJMVRQMYDBRVRSG-UHFFFAOYSA-N
XLogP24.99
TPSA201.68 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001460.18
LogP ≤ 524.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Analyze cumene;1,5-dimethyl-3-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1,2-oxazole;3-propan-2-ylfuran;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;3-propan-2-ylthiophene;2-propan-2-yl-1,3,5-triazine with MolForge

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Related Compounds

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CID 158002845
2-[5-(furan-2-yl)-5-pyridazin-3-yl-2-pyridin-2-yl-6-pyrimidin-2-yl-4-(1H-pyrrol-2-yl)-3-thiophen-2-ylcyclohexa-1,3-dien-1-yl]pyrazine
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6-(furan-2-yl)-3-(1H-imidazol-2-yl)-1-(1H-pyrazol-5-yl)-4-pyridin-2-yl-3-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-5-thiophen-2-yl-4H-pyridazine
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6-(furan-2-yl)-2-(1H-imidazol-2-yl)-1-(1H-pyrazol-5-yl)-4-pyridin-2-yl-3-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)-5-thiophen-2-yl-4H-pyridazine
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3-[5-(furan-2-yl)-2-(1H-imidazol-2-yl)-6-naphthalen-1-yl-5-phenyl-4-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-6-thiophen-2-yl-4H-pyridin-3-yl]-1,2-oxazole
CID 141317428
3-[[6-(furan-2-ylmethylidene)-4-(1H-pyrrol-2-ylmethylidene)-5-(thiophen-2-ylmethylidene)-1H-pyrimidin-2-yl]methylidene]-5-(1H-imidazol-2-ylmethylidene)-6-(1H-pyrazol-3-ylmethylidene)-4-(pyridin-2-ylmethylidene)pyridazine
CID 151616737
methane;bis(2-propan-2-ylcyclopenta-1,3-diene);2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;2-propan-2-yl-4H-imidazole;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;5-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-1,2,4-triazole;bis(4-propan-2-yl-2H-triazole)
CID 157055801
2-phenyl-5-propan-2-ylpyrazine;2-phenyl-3-propan-2-ylpyridine;5-phenyl-2-propan-2-ylpyridine;3-phenyl-2-propan-2-yl-1H-pyrrole;2-phenyl-5-propan-2-yl-1,3-thiazole;2-phenyl-4-propan-2-ylthiophene;2-(4-propan-2-ylphenyl)furan;2-(4-propan-2-ylphenyl)pyridine;4-(3-propan-2-ylphenyl)pyridine;5-(4-propan-2-ylphenyl)pyrimidine;3-(4-propan-2-ylphenyl)-1H-pyrrole;2-(4-propan-2-ylphenyl)-1,3-thiazole
CID 157099887
3-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;4-propan-2-yl-3H-pyrrole;bis(5-propan-2-yl-2H-tetrazole);2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene
CID 157105191
5-methyl-2H-benzotriazole;2-methylfuro[3,2-c]pyridin-4-amine;3-methylfuro[3,2-c]pyridin-4-amine;3-methylimidazo[4,5-c]pyridin-4-amine;6-methyl-3H-imidazo[4,5-c]pyridine;6-methyl-1H-indazole;5-methyl-1H-pyrazolo[5,4-b]pyridine;6-methyl-1H-pyrazolo[4,5-b]pyridine;bis(5-methyl-1H-pyrazolo[5,4-c]pyridine);6-methyl-1H-pyrazolo[4,5-c]pyridine;5-methyl-1H-pyrrolo[3,2-b]pyridine;6-methyl-1H-pyrrolo[3,2-b]pyridine;2-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;3-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;5-methyl-1H-pyrrolo[2,3-c]pyridine;2-methylthieno[3,2-c]pyridin-4-amine;3-methylthieno[3,2-c]pyridin-4-amine
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1,3-Di(propan-2-yl)azetidine;1,3-di(propan-2-yl)bicyclo[1.1.1]pentane;1,3-di(propan-2-yl)cyclohexane;1,4-di(propan-2-yl)cyclohexane;1,1-di(propan-2-yl)cyclopentane;2,5-di(propan-2-yl)furan;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)piperidine;bis(1,4-di(propan-2-yl)piperidine);3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);2,5-di(propan-2-yl)pyrimidine;1,2-di(propan-2-yl)pyrrolidine;bis(1,3-di(propan-2-yl)pyrrolidine);2,4-di(propan-2-yl)pyrrolidine;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene;ethane
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cumene;2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 157116552

Frequently Asked Questions

What is the IUPAC name of cumene;1,5-dimethyl-3-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1,2-oxazole;3-propan-2-ylfuran;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;3-propan-2-ylthiophene;2-propan-2-yl-1,3,5-triazine?
The IUPAC name of cumene;1,5-dimethyl-3-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1,2-oxazole;3-propan-2-ylfuran;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;3-propan-2-ylthiophene;2-propan-2-yl-1,3,5-triazine (CID 158962949) is cumene;1,5-dimethyl-3-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1,2-oxazole;3-propan-2-ylfuran;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;3-propan-2-ylthiophene;2-propan-2-yl-1,3,5-triazine.
What is the SMILES notation for cumene;1,5-dimethyl-3-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1,2-oxazole;3-propan-2-ylfuran;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;3-propan-2-ylthiophene;2-propan-2-yl-1,3,5-triazine?
The canonical SMILES for cumene;1,5-dimethyl-3-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1,2-oxazole;3-propan-2-ylfuran;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;3-propan-2-ylthiophene;2-propan-2-yl-1,3,5-triazine is CC(C)c1cc[nH]c1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1ccoc1.CC(C)c1ccsc1.CC(C)c1cnccn1.CC(C)c1ncncn1.Cc1cc(C(C)C)nn1C.Cc1cc(C(C)C)no1.
What is the InChIKey of cumene;1,5-dimethyl-3-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1,2-oxazole;3-propan-2-ylfuran;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;3-propan-2-ylthiophene;2-propan-2-yl-1,3,5-triazine?
The InChIKey is JMVRQMYDBRVRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.C8H14N2.3C8H11N.2C7H10N2.C7H11NO.C7H11N.C7H10O.C7H10S.C6H9N3/c1-8(2)9-6-4-3-5-7-9;1-6(2)8-5-7(3)10(4)9-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-5(2)7-4-6(3)9-8-7;3*1-6(2)7-3-4-8-5-7;1-5(2)6-8-3-7-4-9-6/h3-8H,1-2H3;5-6H,1-4H3;3*3-7H,1-2H3;2*3-6H,1-2H3;4-5H,1-3H3;3-6,8H,1-2H3;2*3-6H,1-2H3;3-5H,1-2H3.
What are the key properties of cumene;1,5-dimethyl-3-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1,2-oxazole;3-propan-2-ylfuran;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;3-propan-2-ylthiophene;2-propan-2-yl-1,3,5-triazine?
cumene;1,5-dimethyl-3-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1,2-oxazole;3-propan-2-ylfuran;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;3-propan-2-ylthiophene;2-propan-2-yl-1,3,5-triazine has a molecular weight of 1460.18 g/mol, XLogP of 24.99, 12 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;1,5-dimethyl-3-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1,2-oxazole;3-propan-2-ylfuran;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;3-propan-2-ylthiophene;2-propan-2-yl-1,3,5-triazine is sourced from PubChem (CID 158962949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).