4-(2-fluoro-4-propan-2-ylphenyl)-1,5-dimethylpyrazole;5-(2-fluoro-4-propan-2-ylphenyl)-1-methylimidazole;5-(2-fluoro-4-propan-2-ylphenyl)-3-methyl-1,2,4-oxadiazole;4-(2-fluoro-4-propan-2-ylphenyl)-1-methylpyrazole;methane;3-methyl-5-(2-methyl-4-propan-2-ylphenyl)-1,2,4-oxadiazole;1-(2-methyl-4-propan-2-ylphenyl)triazole

C82H111F4N13O2 — CID 157363849

IUPAC4-(2-fluoro-4-propan-2-ylphenyl)-1,5-dimethylpyrazole;5-(2-fluoro-4-propan-2-ylphenyl)-1-methylimidazole;5-(2-fluoro-4-propan-2-ylphenyl)-3-methyl-1,2,4-oxadiazole;4-(2-fluoro-4-propan-2-ylphenyl)-1-methylpyrazole;methane;3-methyl-5-(2-methyl-4-propan-2-ylphenyl)-1,2,4-oxadiazole;1-(2-methyl-4-propan-2-ylphenyl)triazole
SMILESC.C.C.C.C.CC(C)c1ccc(-c2cncn2C)c(F)c1.CC(C)c1ccc(-c2cnn(C)c2)c(F)c1.Cc1c(-c2ccc(C(C)C)cc2F)cnn1C.Cc1cc(C(C)C)ccc1-n1ccnn1.Cc1noc(-c2ccc(C(C)C)cc2C)n1.Cc1noc(-c2ccc(C(C)C)cc2F)n1
InChIInChI=1S/C14H17FN2.2C13H15FN2.C13H16N2O.C12H13FN2O.C12H15N3.5CH4/c1-9(2)11-5-6-12(14(15)7-11)13-8-16-17(4)10(13)3;1-9(2)10-4-5-12(13(14)6-10)11-7-15-16(3)8-11;1-9(2)10-4-5-11(12(14)6-10)13-7-15-8-16(13)3;1-8(2)11-5-6-12(9(3)7-11)13-14-10(4)15-16-13;1-7(2)9-4-5-10(11(13)6-9)12-14-8(3)15-16-12;1-9(2)11-4-5-12(10(3)8-11)15-7-6-13-14-15;;;;;/h5-9H,1-4H3;2*4-9H,1-3H3;5-8H,1-4H3;4-7H,1-3H3;4-9H,1-3H3;5*1H4
InChIKeyBIYIOMNTTKTHAM-UHFFFAOYSA-N
MW1386.87 g/mol
LogP23.02
Rot. Bonds12

About 4-(2-fluoro-4-propan-2-ylphenyl)-1,5-dimethylpyrazole;5-(2-fluoro-4-propan-2-ylphenyl)-1-methylimidazole;5-(2-fluoro-4-propan-2-ylphenyl)-3-methyl-1,2,4-oxadiazole;4-(2-fluoro-4-propan-2-ylphenyl)-1-methylpyrazole;methane;3-methyl-5-(2-methyl-4-propan-2-ylphenyl)-1,2,4-oxadiazole;1-(2-methyl-4-propan-2-ylphenyl)triazole

4-(2-fluoro-4-propan-2-ylphenyl)-1,5-dimethylpyrazole;5-(2-fluoro-4-propan-2-ylphenyl)-1-methylimidazole;5-(2-fluoro-4-propan-2-ylphenyl)-3-methyl-1,2,4-oxadiazole;4-(2-fluoro-4-propan-2-ylphenyl)-1-methylpyrazole;methane;3-methyl-5-(2-methyl-4-propan-2-ylphenyl)-1,2,4-oxadiazole;1-(2-methyl-4-propan-2-ylphenyl)triazole (PubChem CID 157363849) has the molecular formula C82H111F4N13O2 and a molecular weight of 1386.87 g/mol. Its IUPAC name is 4-(2-fluoro-4-propan-2-ylphenyl)-1,5-dimethylpyrazole;5-(2-fluoro-4-propan-2-ylphenyl)-1-methylimidazole;5-(2-fluoro-4-propan-2-ylphenyl)-3-methyl-1,2,4-oxadiazole;4-(2-fluoro-4-propan-2-ylphenyl)-1-methylpyrazole;methane;3-methyl-5-(2-methyl-4-propan-2-ylphenyl)-1,2,4-oxadiazole;1-(2-methyl-4-propan-2-ylphenyl)triazole.

Molecular Properties

Compound Name4-(2-fluoro-4-propan-2-ylphenyl)-1,5-dimethylpyrazole;5-(2-fluoro-4-propan-2-ylphenyl)-1-methylimidazole;5-(2-fluoro-4-propan-2-ylphenyl)-3-methyl-1,2,4-oxadiazole;4-(2-fluoro-4-propan-2-ylphenyl)-1-methylpyrazole;methane;3-methyl-5-(2-methyl-4-propan-2-ylphenyl)-1,2,4-oxadiazole;1-(2-methyl-4-propan-2-ylphenyl)triazole
PubChem CID157363849
Molecular FormulaC82H111F4N13O2
Molecular Weight1386.87 g/mol
Exact Mass1385.89
IUPAC Name4-(2-fluoro-4-propan-2-ylphenyl)-1,5-dimethylpyrazole;5-(2-fluoro-4-propan-2-ylphenyl)-1-methylimidazole;5-(2-fluoro-4-propan-2-ylphenyl)-3-methyl-1,2,4-oxadiazole;4-(2-fluoro-4-propan-2-ylphenyl)-1-methylpyrazole;methane;3-methyl-5-(2-methyl-4-propan-2-ylphenyl)-1,2,4-oxadiazole;1-(2-methyl-4-propan-2-ylphenyl)triazole
SMILESC.C.C.C.C.CC(C)c1ccc(-c2cncn2C)c(F)c1.CC(C)c1ccc(-c2cnn(C)c2)c(F)c1.Cc1c(-c2ccc(C(C)C)cc2F)cnn1C.Cc1cc(C(C)C)ccc1-n1ccnn1.Cc1noc(-c2ccc(C(C)C)cc2C)n1.Cc1noc(-c2ccc(C(C)C)cc2F)n1
InChIInChI=1S/C14H17FN2.2C13H15FN2.C13H16N2O.C12H13FN2O.C12H15N3.5CH4/c1-9(2)11-5-6-12(14(15)7-11)13-8-16-17(4)10(13)3;1-9(2)10-4-5-12(13(14)6-10)11-7-15-16(3)8-11;1-9(2)10-4-5-11(12(14)6-10)13-7-15-8-16(13)3;1-8(2)11-5-6-12(9(3)7-11)13-14-10(4)15-16-13;1-7(2)9-4-5-10(11(13)6-9)12-14-8(3)15-16-12;1-9(2)11-4-5-12(10(3)8-11)15-7-6-13-14-15;;;;;/h5-9H,1-4H3;2*4-9H,1-3H3;5-8H,1-4H3;4-7H,1-3H3;4-9H,1-3H3;5*1H4
InChIKeyBIYIOMNTTKTHAM-UHFFFAOYSA-N
XLogP23.02
TPSA162.01 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds12
Heavy Atoms101
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001386.87
LogP ≤ 523.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 4-(2-fluoro-4-propan-2-ylphenyl)-1,5-dimethylpyrazole;5-(2-fluoro-4-propan-2-ylphenyl)-1-methylimidazole;5-(2-fluoro-4-propan-2-ylphenyl)-3-methyl-1,2,4-oxadiazole;4-(2-fluoro-4-propan-2-ylphenyl)-1-methylpyrazole;methane;3-methyl-5-(2-methyl-4-propan-2-ylphenyl)-1,2,4-oxadiazole;1-(2-methyl-4-propan-2-ylphenyl)triazole 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

3-[6-[3-(4-Fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-phenyl-1,2,4-oxadiazole
CID 22032193
3-[6-[1-[Cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-phenyl-1,2,4-oxadiazole
CID 68812762
4-[5-[5-[4-Phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]indazol-1-yl]butanoic acid;4-[5-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]indazol-2-yl]butanoic acid
CID 87238071
4-[5-[5-[4-Phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]indazol-1-yl]butanoyl 4-[5-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]indazol-2-yl]butanoate
CID 87238072
methane;7-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[(1R)-1-[4-(triazol-1-yl)phenyl]ethyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 157163912
methane;7-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-methyl-2-(2-propan-2-ylphenyl)-9-[(1R)-1-[4-(triazol-1-yl)phenyl]ethyl]purin-8-one;2-(2-propan-2-ylphenyl)-7-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 157371199
1-[4-(5-Butyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)phenyl]-3-(5-fluoro-3-pyridinyl)propan-2-one;4-[3-[3-[4-(4-butyltriazol-1-yl)phenyl]-2-oxopropyl]-4-methylphenyl]butan-2-one;1-[4-[4-(fluoromethyl)triazol-1-yl]phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one
CID 161138853
5-[4-Fluoro-2-(1-methylpyrazol-4-yl)phenyl]-3-[2-methyl-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-1,2,4-oxadiazole
CID 177181184
5-[2-(4-Methylpiperazin-1-yl)-5-(2-propan-2-ylphenyl)phenyl]-3-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-1,2,4-oxadiazole
CID 177181254
1,5-Dimethyl-4-(4-propan-2-ylphenyl)pyrazole;ethane;methane;1-methyl-5-(4-propan-2-ylphenyl)imidazole;bis(3-methyl-5-(4-propan-2-ylphenyl)-1,2,4-oxadiazole);1-methyl-4-(4-propan-2-ylphenyl)pyrazole;1-(4-propan-2-ylphenyl)triazole
CID 157208575
Benzene;ethane;bis(2-methylpropane);naphthalene;3-phenyl-5-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1,2-oxazole;1-phenyl-4-propan-2-yltriazole;5-(4-propan-2-ylphenyl)-1,2-oxazole;1-(4-propan-2-ylphenyl)pyrazole
CID 157229292
Benzene;cumene;ethane;methane;2-methylpropane;naphthalene;3-phenyl-5-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1,2-oxazole;1-phenyl-4-propan-2-yltriazole;5-(4-propan-2-ylphenyl)-1,2-oxazole;1-(4-propan-2-ylphenyl)pyrazole
CID 157719006

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-propan-2-ylphenyl)-1,5-dimethylpyrazole;5-(2-fluoro-4-propan-2-ylphenyl)-1-methylimidazole;5-(2-fluoro-4-propan-2-ylphenyl)-3-methyl-1,2,4-oxadiazole;4-(2-fluoro-4-propan-2-ylphenyl)-1-methylpyrazole;methane;3-methyl-5-(2-methyl-4-propan-2-ylphenyl)-1,2,4-oxadiazole;1-(2-methyl-4-propan-2-ylphenyl)triazole?
The IUPAC name of 4-(2-fluoro-4-propan-2-ylphenyl)-1,5-dimethylpyrazole;5-(2-fluoro-4-propan-2-ylphenyl)-1-methylimidazole;5-(2-fluoro-4-propan-2-ylphenyl)-3-methyl-1,2,4-oxadiazole;4-(2-fluoro-4-propan-2-ylphenyl)-1-methylpyrazole;methane;3-methyl-5-(2-methyl-4-propan-2-ylphenyl)-1,2,4-oxadiazole;1-(2-methyl-4-propan-2-ylphenyl)triazole (CID 157363849) is 4-(2-fluoro-4-propan-2-ylphenyl)-1,5-dimethylpyrazole;5-(2-fluoro-4-propan-2-ylphenyl)-1-methylimidazole;5-(2-fluoro-4-propan-2-ylphenyl)-3-methyl-1,2,4-oxadiazole;4-(2-fluoro-4-propan-2-ylphenyl)-1-methylpyrazole;methane;3-methyl-5-(2-methyl-4-propan-2-ylphenyl)-1,2,4-oxadiazole;1-(2-methyl-4-propan-2-ylphenyl)triazole.
What is the SMILES notation for 4-(2-fluoro-4-propan-2-ylphenyl)-1,5-dimethylpyrazole;5-(2-fluoro-4-propan-2-ylphenyl)-1-methylimidazole;5-(2-fluoro-4-propan-2-ylphenyl)-3-methyl-1,2,4-oxadiazole;4-(2-fluoro-4-propan-2-ylphenyl)-1-methylpyrazole;methane;3-methyl-5-(2-methyl-4-propan-2-ylphenyl)-1,2,4-oxadiazole;1-(2-methyl-4-propan-2-ylphenyl)triazole?
The canonical SMILES for 4-(2-fluoro-4-propan-2-ylphenyl)-1,5-dimethylpyrazole;5-(2-fluoro-4-propan-2-ylphenyl)-1-methylimidazole;5-(2-fluoro-4-propan-2-ylphenyl)-3-methyl-1,2,4-oxadiazole;4-(2-fluoro-4-propan-2-ylphenyl)-1-methylpyrazole;methane;3-methyl-5-(2-methyl-4-propan-2-ylphenyl)-1,2,4-oxadiazole;1-(2-methyl-4-propan-2-ylphenyl)triazole is C.C.C.C.C.CC(C)c1ccc(-c2cncn2C)c(F)c1.CC(C)c1ccc(-c2cnn(C)c2)c(F)c1.Cc1c(-c2ccc(C(C)C)cc2F)cnn1C.Cc1cc(C(C)C)ccc1-n1ccnn1.Cc1noc(-c2ccc(C(C)C)cc2C)n1.Cc1noc(-c2ccc(C(C)C)cc2F)n1.
What is the InChIKey of 4-(2-fluoro-4-propan-2-ylphenyl)-1,5-dimethylpyrazole;5-(2-fluoro-4-propan-2-ylphenyl)-1-methylimidazole;5-(2-fluoro-4-propan-2-ylphenyl)-3-methyl-1,2,4-oxadiazole;4-(2-fluoro-4-propan-2-ylphenyl)-1-methylpyrazole;methane;3-methyl-5-(2-methyl-4-propan-2-ylphenyl)-1,2,4-oxadiazole;1-(2-methyl-4-propan-2-ylphenyl)triazole?
The InChIKey is BIYIOMNTTKTHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2.2C13H15FN2.C13H16N2O.C12H13FN2O.C12H15N3.5CH4/c1-9(2)11-5-6-12(14(15)7-11)13-8-16-17(4)10(13)3;1-9(2)10-4-5-12(13(14)6-10)11-7-15-16(3)8-11;1-9(2)10-4-5-11(12(14)6-10)13-7-15-8-16(13)3;1-8(2)11-5-6-12(9(3)7-11)13-14-10(4)15-16-13;1-7(2)9-4-5-10(11(13)6-9)12-14-8(3)15-16-12;1-9(2)11-4-5-12(10(3)8-11)15-7-6-13-14-15;;;;;/h5-9H,1-4H3;2*4-9H,1-3H3;5-8H,1-4H3;4-7H,1-3H3;4-9H,1-3H3;5*1H4.
What are the key properties of 4-(2-fluoro-4-propan-2-ylphenyl)-1,5-dimethylpyrazole;5-(2-fluoro-4-propan-2-ylphenyl)-1-methylimidazole;5-(2-fluoro-4-propan-2-ylphenyl)-3-methyl-1,2,4-oxadiazole;4-(2-fluoro-4-propan-2-ylphenyl)-1-methylpyrazole;methane;3-methyl-5-(2-methyl-4-propan-2-ylphenyl)-1,2,4-oxadiazole;1-(2-methyl-4-propan-2-ylphenyl)triazole?
4-(2-fluoro-4-propan-2-ylphenyl)-1,5-dimethylpyrazole;5-(2-fluoro-4-propan-2-ylphenyl)-1-methylimidazole;5-(2-fluoro-4-propan-2-ylphenyl)-3-methyl-1,2,4-oxadiazole;4-(2-fluoro-4-propan-2-ylphenyl)-1-methylpyrazole;methane;3-methyl-5-(2-methyl-4-propan-2-ylphenyl)-1,2,4-oxadiazole;1-(2-methyl-4-propan-2-ylphenyl)triazole has a molecular weight of 1386.87 g/mol, XLogP of 23.02, 12 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-propan-2-ylphenyl)-1,5-dimethylpyrazole;5-(2-fluoro-4-propan-2-ylphenyl)-1-methylimidazole;5-(2-fluoro-4-propan-2-ylphenyl)-3-methyl-1,2,4-oxadiazole;4-(2-fluoro-4-propan-2-ylphenyl)-1-methylpyrazole;methane;3-methyl-5-(2-methyl-4-propan-2-ylphenyl)-1,2,4-oxadiazole;1-(2-methyl-4-propan-2-ylphenyl)triazole is sourced from PubChem (CID 157363849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).