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

C46H56ClF13N14O3 — CID 158317742

IUPAC4-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
SMILESCc1ccn(C)c1.Cc1ccoc1.Cc1ccoc1C.Cc1cnn(CC(F)(F)F)c1.Cn1cc(C(F)(F)F)cn1.Cn1cc(Cl)cn1.Cn1cc(F)cn1.Cn1ccc(C(F)(F)F)n1.Cn1nc(C(F)(F)F)n(C)c1=O
InChIInChI=1S/C6H7F3N2.C6H9N.C6H8O.C5H6F3N3O.2C5H5F3N2.C5H6O.C4H5ClN2.C4H5FN2/c1-5-2-10-11(3-5)4-6(7,8)9;1-6-3-4-7(2)5-6;1-5-3-4-7-6(5)2;1-10-3(5(6,7)8)9-11(2)4(10)12;1-10-3-4(2-9-10)5(6,7)8;1-10-3-2-4(9-10)5(6,7)8;1-5-2-3-6-4-5;2*1-7-3-4(5)2-6-7/h2-3H,4H2,1H3;3-5H,1-2H3;3-4H,1-2H3;1-2H3;2*2-3H,1H3;2-4H,1H3;2*2-3H,1H3
InChIKeyGOLXKMHLLIOYKV-UHFFFAOYSA-N
MW1135.48 g/mol
LogP11.22
Rot. Bonds1

About 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

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 (PubChem CID 158317742) has the molecular formula C46H56ClF13N14O3 and a molecular weight of 1135.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID158317742
Molecular FormulaC46H56ClF13N14O3
Molecular Weight1135.48 g/mol
Exact Mass1134.41
IUPAC Name4-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
SMILESCc1ccn(C)c1.Cc1ccoc1.Cc1ccoc1C.Cc1cnn(CC(F)(F)F)c1.Cn1cc(C(F)(F)F)cn1.Cn1cc(Cl)cn1.Cn1cc(F)cn1.Cn1ccc(C(F)(F)F)n1.Cn1nc(C(F)(F)F)n(C)c1=O
InChIInChI=1S/C6H7F3N2.C6H9N.C6H8O.C5H6F3N3O.2C5H5F3N2.C5H6O.C4H5ClN2.C4H5FN2/c1-5-2-10-11(3-5)4-6(7,8)9;1-6-3-4-7(2)5-6;1-5-3-4-7-6(5)2;1-10-3(5(6,7)8)9-11(2)4(10)12;1-10-3-4(2-9-10)5(6,7)8;1-10-3-2-4(9-10)5(6,7)8;1-5-2-3-6-4-5;2*1-7-3-4(5)2-6-7/h2-3H,4H2,1H3;3-5H,1-2H3;3-4H,1-2H3;1-2H3;2*2-3H,1H3;2-4H,1H3;2*2-3H,1H3
InChIKeyGOLXKMHLLIOYKV-UHFFFAOYSA-N
XLogP11.22
TPSA160.13 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds1
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001135.48
LogP ≤ 511.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 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 with MolForge

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Related Compounds

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
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
3-Chloro-1,4-dimethylpyrazole;5-chloro-1,4-dimethylpyrazole;5-chloro-1,4-dimethyl-3-(trifluoromethyl)pyrazole;2,3-dimethylfuran;1,4-dimethyl-3-(trifluoromethyl)pyrazole;2-methylfuran;3-methylfuran;1,3,4-trimethylpyrazole;1,3,5-trimethylpyrazole;1,4,5-trimethylpyrazole
CID 158080749
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccn(C)c1.Cc1ccoc1.Cc1ccoc1C.Cc1cnn(CC(F)(F)F)c1.Cn1cc(C(F)(F)F)cn1.Cn1cc(Cl)cn1.Cn1cc(F)cn1.Cn1ccc(C(F)(F)F)n1.Cn1nc(C(F)(F)F)n(C)c1=O.
What is the InChIKey of 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?
The InChIKey is GOLXKMHLLIOYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2.C6H9N.C6H8O.C5H6F3N3O.2C5H5F3N2.C5H6O.C4H5ClN2.C4H5FN2/c1-5-2-10-11(3-5)4-6(7,8)9;1-6-3-4-7(2)5-6;1-5-3-4-7-6(5)2;1-10-3(5(6,7)8)9-11(2)4(10)12;1-10-3-4(2-9-10)5(6,7)8;1-10-3-2-4(9-10)5(6,7)8;1-5-2-3-6-4-5;2*1-7-3-4(5)2-6-7/h2-3H,4H2,1H3;3-5H,1-2H3;3-4H,1-2H3;1-2H3;2*2-3H,1H3;2-4H,1H3;2*2-3H,1H3.
What are the key properties of 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?
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 has a molecular weight of 1135.48 g/mol, XLogP of 11.22, 1 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158317742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).