1,2-dimethyl-4-propan-2-ylimidazole;1,4-di(propan-2-yl)pyrazole;1-(2-methoxyethyl)-4-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole

C66H110F6N16O2 — CID 160692085

IUPAC1,2-dimethyl-4-propan-2-ylimidazole;1,4-di(propan-2-yl)pyrazole;1-(2-methoxyethyl)-4-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole
SMILESCC(C)c1cc(C(F)(F)F)nn1C.CC(C)c1ccn(C)n1.CC(C)c1cn(C)nc1C(F)(F)F.CC(C)c1cnn(C(C)C)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(CC(C)(C)O)c1.COCCn1cc(C(C)C)cn1.Cc1nc(C(C)C)cn1C
InChIInChI=1S/C10H18N2O.C9H16N2O.C9H16N2.2C8H11F3N2.C8H14N2.2C7H12N2/c1-8(2)9-5-11-12(6-9)7-10(3,4)13;1-8(2)9-6-10-11(7-9)4-5-12-3;1-7(2)9-5-10-11(6-9)8(3)4;1-5(2)6-4-13(3)12-7(6)8(9,10)11;1-5(2)6-4-7(8(9,10)11)12-13(6)3;1-6(2)8-5-10(4)7(3)9-8;1-6(2)7-4-8-9(3)5-7;1-6(2)7-4-5-9(3)8-7/h5-6,8,13H,7H2,1-4H3;6-8H,4-5H2,1-3H3;5-8H,1-4H3;2*4-5H,1-3H3;5-6H,1-4H3;2*4-6H,1-3H3
InChIKeyRPNNJVCGHAJUQN-UHFFFAOYSA-N
MW1273.70 g/mol
LogP16.08
Rot. Bonds14

About 1,2-dimethyl-4-propan-2-ylimidazole;1,4-di(propan-2-yl)pyrazole;1-(2-methoxyethyl)-4-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole

1,2-dimethyl-4-propan-2-ylimidazole;1,4-di(propan-2-yl)pyrazole;1-(2-methoxyethyl)-4-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole (PubChem CID 160692085) has the molecular formula C66H110F6N16O2 and a molecular weight of 1273.70 g/mol. Its IUPAC name is 1,2-dimethyl-4-propan-2-ylimidazole;1,4-di(propan-2-yl)pyrazole;1-(2-methoxyethyl)-4-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1,2-dimethyl-4-propan-2-ylimidazole;1,4-di(propan-2-yl)pyrazole;1-(2-methoxyethyl)-4-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole
PubChem CID160692085
Molecular FormulaC66H110F6N16O2
Molecular Weight1273.70 g/mol
Exact Mass1272.89
IUPAC Name1,2-dimethyl-4-propan-2-ylimidazole;1,4-di(propan-2-yl)pyrazole;1-(2-methoxyethyl)-4-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole
SMILESCC(C)c1cc(C(F)(F)F)nn1C.CC(C)c1ccn(C)n1.CC(C)c1cn(C)nc1C(F)(F)F.CC(C)c1cnn(C(C)C)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(CC(C)(C)O)c1.COCCn1cc(C(C)C)cn1.Cc1nc(C(C)C)cn1C
InChIInChI=1S/C10H18N2O.C9H16N2O.C9H16N2.2C8H11F3N2.C8H14N2.2C7H12N2/c1-8(2)9-5-11-12(6-9)7-10(3,4)13;1-8(2)9-6-10-11(7-9)4-5-12-3;1-7(2)9-5-10-11(6-9)8(3)4;1-5(2)6-4-13(3)12-7(6)8(9,10)11;1-5(2)6-4-7(8(9,10)11)12-13(6)3;1-6(2)8-5-10(4)7(3)9-8;1-6(2)7-4-8-9(3)5-7;1-6(2)7-4-5-9(3)8-7/h5-6,8,13H,7H2,1-4H3;6-8H,4-5H2,1-3H3;5-8H,1-4H3;2*4-5H,1-3H3;5-6H,1-4H3;2*4-6H,1-3H3
InChIKeyRPNNJVCGHAJUQN-UHFFFAOYSA-N
XLogP16.08
TPSA172.02 Ų
H-Bond Donors1
H-Bond Acceptors18
Rotatable Bonds14
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001273.70
LogP ≤ 516.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1018

Analyze 1,2-dimethyl-4-propan-2-ylimidazole;1,4-di(propan-2-yl)pyrazole;1-(2-methoxyethyl)-4-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-propan-2-ylimidazole;1,4-di(propan-2-yl)pyrazole;1-(2-methoxyethyl)-4-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1,2-dimethyl-4-propan-2-ylimidazole;1,4-di(propan-2-yl)pyrazole;1-(2-methoxyethyl)-4-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole (CID 160692085) is 1,2-dimethyl-4-propan-2-ylimidazole;1,4-di(propan-2-yl)pyrazole;1-(2-methoxyethyl)-4-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1,2-dimethyl-4-propan-2-ylimidazole;1,4-di(propan-2-yl)pyrazole;1-(2-methoxyethyl)-4-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1,2-dimethyl-4-propan-2-ylimidazole;1,4-di(propan-2-yl)pyrazole;1-(2-methoxyethyl)-4-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole is CC(C)c1cc(C(F)(F)F)nn1C.CC(C)c1ccn(C)n1.CC(C)c1cn(C)nc1C(F)(F)F.CC(C)c1cnn(C(C)C)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(CC(C)(C)O)c1.COCCn1cc(C(C)C)cn1.Cc1nc(C(C)C)cn1C.
What is the InChIKey of 1,2-dimethyl-4-propan-2-ylimidazole;1,4-di(propan-2-yl)pyrazole;1-(2-methoxyethyl)-4-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole?
The InChIKey is RPNNJVCGHAJUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O.C9H16N2O.C9H16N2.2C8H11F3N2.C8H14N2.2C7H12N2/c1-8(2)9-5-11-12(6-9)7-10(3,4)13;1-8(2)9-6-10-11(7-9)4-5-12-3;1-7(2)9-5-10-11(6-9)8(3)4;1-5(2)6-4-13(3)12-7(6)8(9,10)11;1-5(2)6-4-7(8(9,10)11)12-13(6)3;1-6(2)8-5-10(4)7(3)9-8;1-6(2)7-4-8-9(3)5-7;1-6(2)7-4-5-9(3)8-7/h5-6,8,13H,7H2,1-4H3;6-8H,4-5H2,1-3H3;5-8H,1-4H3;2*4-5H,1-3H3;5-6H,1-4H3;2*4-6H,1-3H3.
What are the key properties of 1,2-dimethyl-4-propan-2-ylimidazole;1,4-di(propan-2-yl)pyrazole;1-(2-methoxyethyl)-4-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole?
1,2-dimethyl-4-propan-2-ylimidazole;1,4-di(propan-2-yl)pyrazole;1-(2-methoxyethyl)-4-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole has a molecular weight of 1273.70 g/mol, XLogP of 16.08, 14 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-propan-2-ylimidazole;1,4-di(propan-2-yl)pyrazole;1-(2-methoxyethyl)-4-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 160692085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).