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

C56H77Cl3F6N14O3 — CID 158080749

IUPAC3-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
SMILESCc1c(C(F)(F)F)nn(C)c1Cl.Cc1cc(C)n(C)n1.Cc1ccco1.Cc1ccoc1.Cc1ccoc1C.Cc1cn(C)nc1C.Cc1cn(C)nc1C(F)(F)F.Cc1cn(C)nc1Cl.Cc1cnn(C)c1C.Cc1cnn(C)c1Cl
InChIInChI=1S/C6H6ClF3N2.C6H7F3N2.3C6H10N2.C6H8O.2C5H7ClN2.2C5H6O/c1-3-4(6(8,9)10)11-12(2)5(3)7;1-4-3-11(2)10-5(4)6(7,8)9;1-5-4-8(3)7-6(5)2;1-5-4-7-8(3)6(5)2;1-5-4-6(2)8(3)7-5;1-5-3-4-7-6(5)2;1-4-3-8(2)7-5(4)6;1-4-3-7-8(2)5(4)6;1-5-2-3-6-4-5;1-5-3-2-4-6-5/h1-2H3;3H,1-2H3;3*4H,1-3H3;3-4H,1-2H3;2*3H,1-2H3;2*2-4H,1H3
InChIKeyFMXQOTXIMXKUPF-UHFFFAOYSA-N
MW1214.67 g/mol
LogP15.10
Rot. Bonds

About 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

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 (PubChem CID 158080749) has the molecular formula C56H77Cl3F6N14O3 and a molecular weight of 1214.67 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID158080749
Molecular FormulaC56H77Cl3F6N14O3
Molecular Weight1214.67 g/mol
Exact Mass1212.53
IUPAC Name3-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
SMILESCc1c(C(F)(F)F)nn(C)c1Cl.Cc1cc(C)n(C)n1.Cc1ccco1.Cc1ccoc1.Cc1ccoc1C.Cc1cn(C)nc1C.Cc1cn(C)nc1C(F)(F)F.Cc1cn(C)nc1Cl.Cc1cnn(C)c1C.Cc1cnn(C)c1Cl
InChIInChI=1S/C6H6ClF3N2.C6H7F3N2.3C6H10N2.C6H8O.2C5H7ClN2.2C5H6O/c1-3-4(6(8,9)10)11-12(2)5(3)7;1-4-3-11(2)10-5(4)6(7,8)9;1-5-4-8(3)7-6(5)2;1-5-4-7-8(3)6(5)2;1-5-4-6(2)8(3)7-5;1-5-3-4-7-6(5)2;1-4-3-8(2)7-5(4)6;1-4-3-7-8(2)5(4)6;1-5-2-3-6-4-5;1-5-3-2-4-6-5/h1-2H3;3H,1-2H3;3*4H,1-3H3;3-4H,1-2H3;2*3H,1-2H3;2*2-4H,1H3
InChIKeyFMXQOTXIMXKUPF-UHFFFAOYSA-N
XLogP15.10
TPSA164.16 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001214.67
LogP ≤ 515.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 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 with MolForge

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Related Compounds

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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1c(C(F)(F)F)nn(C)c1Cl.Cc1cc(C)n(C)n1.Cc1ccco1.Cc1ccoc1.Cc1ccoc1C.Cc1cn(C)nc1C.Cc1cn(C)nc1C(F)(F)F.Cc1cn(C)nc1Cl.Cc1cnn(C)c1C.Cc1cnn(C)c1Cl.
What is the InChIKey of 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?
The InChIKey is FMXQOTXIMXKUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClF3N2.C6H7F3N2.3C6H10N2.C6H8O.2C5H7ClN2.2C5H6O/c1-3-4(6(8,9)10)11-12(2)5(3)7;1-4-3-11(2)10-5(4)6(7,8)9;1-5-4-8(3)7-6(5)2;1-5-4-7-8(3)6(5)2;1-5-4-6(2)8(3)7-5;1-5-3-4-7-6(5)2;1-4-3-8(2)7-5(4)6;1-4-3-7-8(2)5(4)6;1-5-2-3-6-4-5;1-5-3-2-4-6-5/h1-2H3;3H,1-2H3;3*4H,1-3H3;3-4H,1-2H3;2*3H,1-2H3;2*2-4H,1H3.
What are the key properties of 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?
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 has a molecular weight of 1214.67 g/mol, XLogP of 15.10, 0 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158080749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).