cumene;2-fluoro-1-methyl-3-propan-2-ylbenzene;methane;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;3-methyl-5-propan-2-ylpyridine;2-(2-methylpropyl)pyrimidine;2-propan-2-yl-1H-imidazole;4-propan-2-yl-4H-imidazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-2H-pyrrole

C117H181FN20 — CID 159406193

IUPACcumene;2-fluoro-1-methyl-3-propan-2-ylbenzene;methane;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;3-methyl-5-propan-2-ylpyridine;2-(2-methylpropyl)pyrimidine;2-propan-2-yl-1H-imidazole;4-propan-2-yl-4H-imidazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-2H-pyrrole
SMILESC.C.C.CC(C)C1=CCN=C1.CC(C)C1=NCC=C1.CC(C)C1C=NC=N1.CC(C)Cc1ncccn1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccn(C)n1.CC(C)c1cnccn1.CC(C)c1cnn(C)c1.CC(C)c1ncc[nH]1.CC(C)c1ncccn1.Cc1cccc(C(C)C)c1F.Cc1cncc(C(C)C)c1
InChIInChI=1S/C10H13F.C9H13N.C9H12.C8H12N2.3C8H11N.2C7H12N2.2C7H10N2.2C7H11N.2C6H10N2.3CH4/c1-7(2)9-6-4-5-8(3)10(9)11;1-7(2)9-4-8(3)5-10-6-9;1-8(2)9-6-4-3-5-7-9;1-7(2)6-8-9-4-3-5-10-8;1-7(2)8-4-3-5-9-6-8;2*1-7(2)8-5-3-4-6-9-8;1-6(2)7-4-8-9(3)5-7;1-6(2)7-4-5-9(3)8-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;;;/h4-7H,1-3H3;4-7H,1-3H3;3-8H,1-2H3;3-5,7H,6H2,1-2H3;3*3-7H,1-2H3;2*4-6H,1-3H3;2*3-6H,1-2H3;3,5-6H,4H2,1-2H3;3-4,6H,5H2,1-2H3;3-6H,1-2H3;3-5H,1-2H3,(H,7,8);3*1H4
InChIKeyLNZDREAOUZCXNA-UHFFFAOYSA-N
MW1886.87 g/mol
LogP31.03
Rot. Bonds16

About cumene;2-fluoro-1-methyl-3-propan-2-ylbenzene;methane;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;3-methyl-5-propan-2-ylpyridine;2-(2-methylpropyl)pyrimidine;2-propan-2-yl-1H-imidazole;4-propan-2-yl-4H-imidazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-2H-pyrrole

cumene;2-fluoro-1-methyl-3-propan-2-ylbenzene;methane;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;3-methyl-5-propan-2-ylpyridine;2-(2-methylpropyl)pyrimidine;2-propan-2-yl-1H-imidazole;4-propan-2-yl-4H-imidazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-2H-pyrrole (PubChem CID 159406193) has the molecular formula C117H181FN20 and a molecular weight of 1886.87 g/mol. Its IUPAC name is cumene;2-fluoro-1-methyl-3-propan-2-ylbenzene;methane;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;3-methyl-5-propan-2-ylpyridine;2-(2-methylpropyl)pyrimidine;2-propan-2-yl-1H-imidazole;4-propan-2-yl-4H-imidazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-2H-pyrrole.

Molecular Properties

Compound Namecumene;2-fluoro-1-methyl-3-propan-2-ylbenzene;methane;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;3-methyl-5-propan-2-ylpyridine;2-(2-methylpropyl)pyrimidine;2-propan-2-yl-1H-imidazole;4-propan-2-yl-4H-imidazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-2H-pyrrole
PubChem CID159406193
Molecular FormulaC117H181FN20
Molecular Weight1886.87 g/mol
Exact Mass1885.48
IUPAC Namecumene;2-fluoro-1-methyl-3-propan-2-ylbenzene;methane;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;3-methyl-5-propan-2-ylpyridine;2-(2-methylpropyl)pyrimidine;2-propan-2-yl-1H-imidazole;4-propan-2-yl-4H-imidazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-2H-pyrrole
SMILESC.C.C.CC(C)C1=CCN=C1.CC(C)C1=NCC=C1.CC(C)C1C=NC=N1.CC(C)Cc1ncccn1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccn(C)n1.CC(C)c1cnccn1.CC(C)c1cnn(C)c1.CC(C)c1ncc[nH]1.CC(C)c1ncccn1.Cc1cccc(C(C)C)c1F.Cc1cncc(C(C)C)c1
InChIInChI=1S/C10H13F.C9H13N.C9H12.C8H12N2.3C8H11N.2C7H12N2.2C7H10N2.2C7H11N.2C6H10N2.3CH4/c1-7(2)9-6-4-5-8(3)10(9)11;1-7(2)9-4-8(3)5-10-6-9;1-8(2)9-6-4-3-5-7-9;1-7(2)6-8-9-4-3-5-10-8;1-7(2)8-4-3-5-9-6-8;2*1-7(2)8-5-3-4-6-9-8;1-6(2)7-4-8-9(3)5-7;1-6(2)7-4-5-9(3)8-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;;;/h4-7H,1-3H3;4-7H,1-3H3;3-8H,1-2H3;3-5,7H,6H2,1-2H3;3*3-7H,1-2H3;2*4-6H,1-3H3;2*3-6H,1-2H3;3,5-6H,4H2,1-2H3;3-4,6H,5H2,1-2H3;3-6H,1-2H3;3-5H,1-2H3,(H,7,8);3*1H4
InChIKeyLNZDREAOUZCXNA-UHFFFAOYSA-N
XLogP31.03
TPSA242.66 Ų
H-Bond Donors1
H-Bond Acceptors19
Rotatable Bonds16
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001886.87
LogP ≤ 531.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1019

Analyze cumene;2-fluoro-1-methyl-3-propan-2-ylbenzene;methane;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;3-methyl-5-propan-2-ylpyridine;2-(2-methylpropyl)pyrimidine;2-propan-2-yl-1H-imidazole;4-propan-2-yl-4H-imidazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-2H-pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butylbenzene;2-tert-butylpyridine;2-tert-butylthiophene;3-tert-butylthiophene;1,5-dimethyl-3-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrazole;3-methyl-5-propan-2-yl-2H-pyrrole;2-propan-2-ylpyrazine;4-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-2H-pyrrole;3-propan-2-ylquinoline
CID 158344040
2-propan-2-ylpyrazine;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;4-propan-2-yl-2H-pyrrole
CID 159702479
tert-butylbenzene;2-tert-butylpyridine;2-tert-butylthiophene;3-tert-butylthiophene;cumene;1,5-dimethyl-3-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrazole;3-methyl-5-propan-2-yl-2H-pyrrole;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);5-propan-2-ylpyrimidine;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-2H-pyrrole;3-propan-2-ylquinoline
CID 158732338
1-tert-butyl-4-methylpiperazin-2-one;ethane;methane;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine
CID 162165714
ethane;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine
CID 159241215
cumene;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine
CID 159892681
cumene;methane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine
CID 161373838
cumene;ethane;2-propan-2-ylpyridine;3-propan-2-ylpyridine
CID 159528038
cumene;4,4-dimethyl-1-propan-2-ylcyclohexene;4-methylidene-1-propan-2-ylcyclohexene;4-methyl-1-propan-2-ylcyclohexene;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;propan-2-ylcyclohexane;1-propan-2-ylcyclohexene;5-propan-2-yl-3,4-dihydro-2H-pyran;6-propan-2-yl-3,4-dihydro-2H-pyran;2-propan-2-yloxane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine
CID 159318929
bis(2-propan-2-ylpyridine);bis(3-propan-2-ylpyridine)
CID 158875666
N-(2-bicyclo[2.2.2]octanyl)-2-methylpropanamide;5-cyclopropyl-3-propan-2-yl-1H-1,2,4-triazole;N,N-dimethylpropan-2-amine;2,2-dimethylpropanenitrile;1-fluoro-2-(2-methylpropyl)benzene;2-methylbutane;2-methyl-N-(1-methylpiperidin-3-yl)propanamide;bis(4-methylpentan-2-one);bis(2-methylpropane);1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol;2-methylpropylbenzene;2-methylpropylcyclobutane;4-(2-methylpropyl)morpholine;N-propan-2-ylacetamide;propan-2-ylcyclopropane;1-propan-2-ylpiperidine;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-2H-pyrrole
CID 160584651
methane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine
CID 158880002

Frequently Asked Questions

What is the IUPAC name of cumene;2-fluoro-1-methyl-3-propan-2-ylbenzene;methane;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;3-methyl-5-propan-2-ylpyridine;2-(2-methylpropyl)pyrimidine;2-propan-2-yl-1H-imidazole;4-propan-2-yl-4H-imidazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-2H-pyrrole?
The IUPAC name of cumene;2-fluoro-1-methyl-3-propan-2-ylbenzene;methane;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;3-methyl-5-propan-2-ylpyridine;2-(2-methylpropyl)pyrimidine;2-propan-2-yl-1H-imidazole;4-propan-2-yl-4H-imidazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-2H-pyrrole (CID 159406193) is cumene;2-fluoro-1-methyl-3-propan-2-ylbenzene;methane;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;3-methyl-5-propan-2-ylpyridine;2-(2-methylpropyl)pyrimidine;2-propan-2-yl-1H-imidazole;4-propan-2-yl-4H-imidazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-2H-pyrrole.
What is the SMILES notation for cumene;2-fluoro-1-methyl-3-propan-2-ylbenzene;methane;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;3-methyl-5-propan-2-ylpyridine;2-(2-methylpropyl)pyrimidine;2-propan-2-yl-1H-imidazole;4-propan-2-yl-4H-imidazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-2H-pyrrole?
The canonical SMILES for cumene;2-fluoro-1-methyl-3-propan-2-ylbenzene;methane;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;3-methyl-5-propan-2-ylpyridine;2-(2-methylpropyl)pyrimidine;2-propan-2-yl-1H-imidazole;4-propan-2-yl-4H-imidazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-2H-pyrrole is C.C.C.CC(C)C1=CCN=C1.CC(C)C1=NCC=C1.CC(C)C1C=NC=N1.CC(C)Cc1ncccn1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccn(C)n1.CC(C)c1cnccn1.CC(C)c1cnn(C)c1.CC(C)c1ncc[nH]1.CC(C)c1ncccn1.Cc1cccc(C(C)C)c1F.Cc1cncc(C(C)C)c1.
What is the InChIKey of cumene;2-fluoro-1-methyl-3-propan-2-ylbenzene;methane;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;3-methyl-5-propan-2-ylpyridine;2-(2-methylpropyl)pyrimidine;2-propan-2-yl-1H-imidazole;4-propan-2-yl-4H-imidazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-2H-pyrrole?
The InChIKey is LNZDREAOUZCXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F.C9H13N.C9H12.C8H12N2.3C8H11N.2C7H12N2.2C7H10N2.2C7H11N.2C6H10N2.3CH4/c1-7(2)9-6-4-5-8(3)10(9)11;1-7(2)9-4-8(3)5-10-6-9;1-8(2)9-6-4-3-5-7-9;1-7(2)6-8-9-4-3-5-10-8;1-7(2)8-4-3-5-9-6-8;2*1-7(2)8-5-3-4-6-9-8;1-6(2)7-4-8-9(3)5-7;1-6(2)7-4-5-9(3)8-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;;;/h4-7H,1-3H3;4-7H,1-3H3;3-8H,1-2H3;3-5,7H,6H2,1-2H3;3*3-7H,1-2H3;2*4-6H,1-3H3;2*3-6H,1-2H3;3,5-6H,4H2,1-2H3;3-4,6H,5H2,1-2H3;3-6H,1-2H3;3-5H,1-2H3,(H,7,8);3*1H4.
What are the key properties of cumene;2-fluoro-1-methyl-3-propan-2-ylbenzene;methane;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;3-methyl-5-propan-2-ylpyridine;2-(2-methylpropyl)pyrimidine;2-propan-2-yl-1H-imidazole;4-propan-2-yl-4H-imidazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-2H-pyrrole?
cumene;2-fluoro-1-methyl-3-propan-2-ylbenzene;methane;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;3-methyl-5-propan-2-ylpyridine;2-(2-methylpropyl)pyrimidine;2-propan-2-yl-1H-imidazole;4-propan-2-yl-4H-imidazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-2H-pyrrole has a molecular weight of 1886.87 g/mol, XLogP of 31.03, 16 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;2-fluoro-1-methyl-3-propan-2-ylbenzene;methane;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;3-methyl-5-propan-2-ylpyridine;2-(2-methylpropyl)pyrimidine;2-propan-2-yl-1H-imidazole;4-propan-2-yl-4H-imidazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-2H-pyrrole is sourced from PubChem (CID 159406193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).