1-(2,2-difluoropropyl)-4-methylpyrazole;2,3-dimethylfuran;1,4-dimethylpyrazole;1,3-dimethylpyrrole;2,3-dimethylthiophene;2,4-dimethyl-5-(trifluoromethyl)-1,2,4-triazol-3-one;1-ethyl-4-methylpyrazole;2,4,5-trimethyl-1,3-thiazole

C47H68F5N11O2S2 — CID 157177074

IUPAC1-(2,2-difluoropropyl)-4-methylpyrazole;2,3-dimethylfuran;1,4-dimethylpyrazole;1,3-dimethylpyrrole;2,3-dimethylthiophene;2,4-dimethyl-5-(trifluoromethyl)-1,2,4-triazol-3-one;1-ethyl-4-methylpyrazole;2,4,5-trimethyl-1,3-thiazole
SMILESCCn1cc(C)cn1.Cc1ccn(C)c1.Cc1ccoc1C.Cc1ccsc1C.Cc1cnn(C)c1.Cc1cnn(CC(C)(F)F)c1.Cc1nc(C)c(C)s1.Cn1nc(C(F)(F)F)n(C)c1=O
InChIInChI=1S/C7H10F2N2.C6H10N2.C6H9NS.C6H9N.C6H8O.C6H8S.C5H6F3N3O.C5H8N2/c1-6-3-10-11(4-6)5-7(2,8)9;1-3-8-5-6(2)4-7-8;1-4-5(2)8-6(3)7-4;1-6-3-4-7(2)5-6;2*1-5-3-4-7-6(5)2;1-10-3(5(6,7)8)9-11(2)4(10)12;1-5-3-6-7(2)4-5/h3-4H,5H2,1-2H3;4-5H,3H2,1-2H3;1-3H3;3-5H,1-2H3;2*3-4H,1-2H3;1-2H3;3-4H,1-2H3
InChIKeyAODBYDUOMCAKAG-UHFFFAOYSA-N
MW978.26 g/mol
LogP11.59
Rot. Bonds3

About 1-(2,2-difluoropropyl)-4-methylpyrazole;2,3-dimethylfuran;1,4-dimethylpyrazole;1,3-dimethylpyrrole;2,3-dimethylthiophene;2,4-dimethyl-5-(trifluoromethyl)-1,2,4-triazol-3-one;1-ethyl-4-methylpyrazole;2,4,5-trimethyl-1,3-thiazole

1-(2,2-difluoropropyl)-4-methylpyrazole;2,3-dimethylfuran;1,4-dimethylpyrazole;1,3-dimethylpyrrole;2,3-dimethylthiophene;2,4-dimethyl-5-(trifluoromethyl)-1,2,4-triazol-3-one;1-ethyl-4-methylpyrazole;2,4,5-trimethyl-1,3-thiazole (PubChem CID 157177074) has the molecular formula C47H68F5N11O2S2 and a molecular weight of 978.26 g/mol. Its IUPAC name is 1-(2,2-difluoropropyl)-4-methylpyrazole;2,3-dimethylfuran;1,4-dimethylpyrazole;1,3-dimethylpyrrole;2,3-dimethylthiophene;2,4-dimethyl-5-(trifluoromethyl)-1,2,4-triazol-3-one;1-ethyl-4-methylpyrazole;2,4,5-trimethyl-1,3-thiazole.

Molecular Properties

Compound Name1-(2,2-difluoropropyl)-4-methylpyrazole;2,3-dimethylfuran;1,4-dimethylpyrazole;1,3-dimethylpyrrole;2,3-dimethylthiophene;2,4-dimethyl-5-(trifluoromethyl)-1,2,4-triazol-3-one;1-ethyl-4-methylpyrazole;2,4,5-trimethyl-1,3-thiazole
PubChem CID157177074
Molecular FormulaC47H68F5N11O2S2
Molecular Weight978.26 g/mol
Exact Mass977.49
IUPAC Name1-(2,2-difluoropropyl)-4-methylpyrazole;2,3-dimethylfuran;1,4-dimethylpyrazole;1,3-dimethylpyrrole;2,3-dimethylthiophene;2,4-dimethyl-5-(trifluoromethyl)-1,2,4-triazol-3-one;1-ethyl-4-methylpyrazole;2,4,5-trimethyl-1,3-thiazole
SMILESCCn1cc(C)cn1.Cc1ccn(C)c1.Cc1ccoc1C.Cc1ccsc1C.Cc1cnn(C)c1.Cc1cnn(CC(C)(F)F)c1.Cc1nc(C)c(C)s1.Cn1nc(C(F)(F)F)n(C)c1=O
InChIInChI=1S/C7H10F2N2.C6H10N2.C6H9NS.C6H9N.C6H8O.C6H8S.C5H6F3N3O.C5H8N2/c1-6-3-10-11(4-6)5-7(2,8)9;1-3-8-5-6(2)4-7-8;1-4-5(2)8-6(3)7-4;1-6-3-4-7(2)5-6;2*1-5-3-4-7-6(5)2;1-10-3(5(6,7)8)9-11(2)4(10)12;1-5-3-6-7(2)4-5/h3-4H,5H2,1-2H3;4-5H,3H2,1-2H3;1-3H3;3-5H,1-2H3;2*3-4H,1-2H3;1-2H3;3-4H,1-2H3
InChIKeyAODBYDUOMCAKAG-UHFFFAOYSA-N
XLogP11.59
TPSA124.24 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds3
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500978.26
LogP ≤ 511.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 1-(2,2-difluoropropyl)-4-methylpyrazole;2,3-dimethylfuran;1,4-dimethylpyrazole;1,3-dimethylpyrrole;2,3-dimethylthiophene;2,4-dimethyl-5-(trifluoromethyl)-1,2,4-triazol-3-one;1-ethyl-4-methylpyrazole;2,4,5-trimethyl-1,3-thiazole 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

2-Bromo-3-propan-2-ylthiophene;3-(difluoromethyl)-5-fluoro-1-methyl-4-propan-2-ylpyrazole;3-(difluoromethyl)-1-methyl-4-propan-2-ylpyrazole;4-(difluoromethyl)-2-methyl-5-propan-2-yl-1,3-thiazole;4-(difluoromethyl)-2-methyl-5-propan-2-yltriazole;2,5-dimethyl-3-propan-2-ylfuran;1-methyl-3-propan-2-yl-4-(trifluoromethyl)pyrrole
CID 157370733
4-Chloro-1-methylpyrazole;1-(2,2-difluoropropyl)-4-methylpyrazole;2,3-dimethylfuran;1,3-dimethylpyrrole;2,4-dimethyl-5-(trifluoromethyl)-1,2,4-triazol-3-one;4-fluoro-1-methylpyrazole;3-methylfuran;1-methyl-3-(trifluoromethyl)pyrazole;1-methyl-4-(trifluoromethyl)pyrazole
CID 157838888
4-Chloro-1-methylpyrazole;2,3-dimethylfuran;1,3-dimethylpyrrole;2,4-dimethyl-5-(trifluoromethyl)-1,2,4-triazol-3-one;4-fluoro-1-methylpyrazole;3-methylfuran;4-methyl-1-(2,2,2-trifluoroethyl)pyrazole;1-methyl-3-(trifluoromethyl)pyrazole;1-methyl-4-(trifluoromethyl)pyrazole
CID 158317742
5-(1,1-Difluoroethyl)-2,4-dimethyl-1,2,4-triazol-3-one;2,3-dimethylfuran;1,3-dimethylpyrrole;4-fluoro-1-methylpyrazole;3-methylfuran;1-methyl-3-(trifluoromethyl)pyrazole;1-methyl-4-(trifluoromethyl)pyrazole
CID 159774333
5-(1,1-Difluoroethyl)-2,4-dimethyl-1,2,4-triazol-3-one;2,3-dimethylfuran;1,3-dimethylpyrrole;4-fluoro-1-methylpyrazole;3-methylfuran;1-methyl-4-(trifluoromethyl)pyrazole
CID 160064591
2,3-di(propan-2-yl)furan;4,5-di(propan-2-yl)-2H-pyrrole;3,4-di(propan-2-yl)-1,2-thiazole;4,5-di(propan-2-yl)-1,3-thiazole;2,3-di(propan-2-yl)thiophene;bis(1-methyl-3,4-di(propan-2-yl)pyrazole);bis(1-methyl-3,5-di(propan-2-yl)pyrazole);1-methyl-4,5-di(propan-2-yl)pyrazole;2-methyl-4,5-di(propan-2-yl)-1,3-thiazole
CID 157522959
5-Chloro-3-(difluoromethyl)-1,4-dimethylpyrazole;3-(difluoromethyl)-1,4-dimethylpyrazole;3-(difluoromethyl)-1,4-dimethylpyrrole;4-(difluoromethyl)-2,5-dimethyl-1,3-thiazole;3-(difluoromethyl)-5-fluoro-1,4-dimethylpyrazole;5-fluoro-1,3,4-trimethylpyrazole;2-iodo-3-methylthiophene;2,3,5-trimethylfuran
CID 157696546
1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-4-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;3-propan-2-ylfuran;3-propan-2-yl-2H-pyrrole;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-2H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 158152705
Bis(2,3-dimethylfuran);bis(3,4-dimethylfuran);bis(1,2-dimethylimidazole);1,5-dimethylimidazole;4,5-dimethyl-1,3-oxazole;1,5-dimethylpyrazole;1,2-dimethylpyrrole;4,5-dimethyl-1,3-thiazole;bis(2,3-dimethylthiophene);bis(3,4-dimethylthiophene);methane;1,4,5-trimethylimidazole;1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;1,2,3-trimethylpyrrole;1,3,4-trimethylpyrrole
CID 158937545
3,5-dimethyl-4-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;4-methyl-5-propan-2-yl-3H-pyrrole;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-5-propan-2-yl-1,2,4-triazole;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;2-propan-2-ylthiophene
CID 159015285
2,3-Dimethylfuran;3,4-dimethylfuran;1,5-dimethylpyrazole;2,3-dimethylthiophene;3,4-dimethylthiophene;1,2,3-trimethylpyrrole;1,3,4-trimethylpyrrole
CID 159387911
N-(furan-2-ylmethyl)-N,2,2-trimethylbutanamide;N,2,2-trimethyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide;N,2,2-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide;N,2,2-trimethyl-N-[(3-methylthiophen-2-yl)methyl]butanamide;N,2,2-trimethyl-N-[(5-methylthiophen-2-yl)methyl]butanamide;N,2,2-trimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 159764877

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoropropyl)-4-methylpyrazole;2,3-dimethylfuran;1,4-dimethylpyrazole;1,3-dimethylpyrrole;2,3-dimethylthiophene;2,4-dimethyl-5-(trifluoromethyl)-1,2,4-triazol-3-one;1-ethyl-4-methylpyrazole;2,4,5-trimethyl-1,3-thiazole?
The IUPAC name of 1-(2,2-difluoropropyl)-4-methylpyrazole;2,3-dimethylfuran;1,4-dimethylpyrazole;1,3-dimethylpyrrole;2,3-dimethylthiophene;2,4-dimethyl-5-(trifluoromethyl)-1,2,4-triazol-3-one;1-ethyl-4-methylpyrazole;2,4,5-trimethyl-1,3-thiazole (CID 157177074) is 1-(2,2-difluoropropyl)-4-methylpyrazole;2,3-dimethylfuran;1,4-dimethylpyrazole;1,3-dimethylpyrrole;2,3-dimethylthiophene;2,4-dimethyl-5-(trifluoromethyl)-1,2,4-triazol-3-one;1-ethyl-4-methylpyrazole;2,4,5-trimethyl-1,3-thiazole.
What is the SMILES notation for 1-(2,2-difluoropropyl)-4-methylpyrazole;2,3-dimethylfuran;1,4-dimethylpyrazole;1,3-dimethylpyrrole;2,3-dimethylthiophene;2,4-dimethyl-5-(trifluoromethyl)-1,2,4-triazol-3-one;1-ethyl-4-methylpyrazole;2,4,5-trimethyl-1,3-thiazole?
The canonical SMILES for 1-(2,2-difluoropropyl)-4-methylpyrazole;2,3-dimethylfuran;1,4-dimethylpyrazole;1,3-dimethylpyrrole;2,3-dimethylthiophene;2,4-dimethyl-5-(trifluoromethyl)-1,2,4-triazol-3-one;1-ethyl-4-methylpyrazole;2,4,5-trimethyl-1,3-thiazole is CCn1cc(C)cn1.Cc1ccn(C)c1.Cc1ccoc1C.Cc1ccsc1C.Cc1cnn(C)c1.Cc1cnn(CC(C)(F)F)c1.Cc1nc(C)c(C)s1.Cn1nc(C(F)(F)F)n(C)c1=O.
What is the InChIKey of 1-(2,2-difluoropropyl)-4-methylpyrazole;2,3-dimethylfuran;1,4-dimethylpyrazole;1,3-dimethylpyrrole;2,3-dimethylthiophene;2,4-dimethyl-5-(trifluoromethyl)-1,2,4-triazol-3-one;1-ethyl-4-methylpyrazole;2,4,5-trimethyl-1,3-thiazole?
The InChIKey is AODBYDUOMCAKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N2.C6H10N2.C6H9NS.C6H9N.C6H8O.C6H8S.C5H6F3N3O.C5H8N2/c1-6-3-10-11(4-6)5-7(2,8)9;1-3-8-5-6(2)4-7-8;1-4-5(2)8-6(3)7-4;1-6-3-4-7(2)5-6;2*1-5-3-4-7-6(5)2;1-10-3(5(6,7)8)9-11(2)4(10)12;1-5-3-6-7(2)4-5/h3-4H,5H2,1-2H3;4-5H,3H2,1-2H3;1-3H3;3-5H,1-2H3;2*3-4H,1-2H3;1-2H3;3-4H,1-2H3.
What are the key properties of 1-(2,2-difluoropropyl)-4-methylpyrazole;2,3-dimethylfuran;1,4-dimethylpyrazole;1,3-dimethylpyrrole;2,3-dimethylthiophene;2,4-dimethyl-5-(trifluoromethyl)-1,2,4-triazol-3-one;1-ethyl-4-methylpyrazole;2,4,5-trimethyl-1,3-thiazole?
1-(2,2-difluoropropyl)-4-methylpyrazole;2,3-dimethylfuran;1,4-dimethylpyrazole;1,3-dimethylpyrrole;2,3-dimethylthiophene;2,4-dimethyl-5-(trifluoromethyl)-1,2,4-triazol-3-one;1-ethyl-4-methylpyrazole;2,4,5-trimethyl-1,3-thiazole has a molecular weight of 978.26 g/mol, XLogP of 11.59, 3 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoropropyl)-4-methylpyrazole;2,3-dimethylfuran;1,4-dimethylpyrazole;1,3-dimethylpyrrole;2,3-dimethylthiophene;2,4-dimethyl-5-(trifluoromethyl)-1,2,4-triazol-3-one;1-ethyl-4-methylpyrazole;2,4,5-trimethyl-1,3-thiazole is sourced from PubChem (CID 157177074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).