4,5-dimethyl-1H-pyrazole;2-(3,4-dimethylpyrazol-1-yl)ethanol;2-(4,5-dimethylpyrazol-1-yl)ethanol;1,4-dimethyl-3-(trifluoromethyl)pyrazole;1,4-dimethyl-5-(trifluoromethyl)pyrazole;bis(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);bis(2-[3,4-dimethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol);4-(5-methyl-2-pyridinyl)morpholine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol;2-[4-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol;bis(1,3,4,5-tetramethylpyrazole);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;bis(3,4,5-trimethyl-1H-pyrazole);bis(2-(3,4,5-trimethylpyrazol-1-yl)ethanol);bis(1,3,4-trimethyl-5-(trifluoromethyl)pyrazole)

C161H234F36N48O9 — CID 159038795

About 4,5-dimethyl-1H-pyrazole;2-(3,4-dimethylpyrazol-1-yl)ethanol;2-(4,5-dimethylpyrazol-1-yl)ethanol;1,4-dimethyl-3-(trifluoromethyl)pyrazole;1,4-dimethyl-5-(trifluoromethyl)pyrazole;bis(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);bis(2-[3,4-dimethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol);4-(5-methyl-2-pyridinyl)morpholine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol;2-[4-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol;bis(1,3,4,5-tetramethylpyrazole);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;bis(3,4,5-trimethyl-1H-pyrazole);bis(2-(3,4,5-trimethylpyrazol-1-yl)ethanol);bis(1,3,4-trimethyl-5-(trifluoromethyl)pyrazole)

4,5-dimethyl-1H-pyrazole;2-(3,4-dimethylpyrazol-1-yl)ethanol;2-(4,5-dimethylpyrazol-1-yl)ethanol;1,4-dimethyl-3-(trifluoromethyl)pyrazole;1,4-dimethyl-5-(trifluoromethyl)pyrazole;bis(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);bis(2-[3,4-dimethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol);4-(5-methyl-2-pyridinyl)morpholine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol;2-[4-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol;bis(1,3,4,5-tetramethylpyrazole);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;bis(3,4,5-trimethyl-1H-pyrazole);bis(2-(3,4,5-trimethylpyrazol-1-yl)ethanol);bis(1,3,4-trimethyl-5-(trifluoromethyl)pyrazole) (PubChem CID 159038795) has the molecular formula C161H234F36N48O9 and a molecular weight of 3669.90 g/mol. Its IUPAC name is 4,5-dimethyl-1H-pyrazole;2-(3,4-dimethylpyrazol-1-yl)ethanol;2-(4,5-dimethylpyrazol-1-yl)ethanol;1,4-dimethyl-3-(trifluoromethyl)pyrazole;1,4-dimethyl-5-(trifluoromethyl)pyrazole;bis(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);bis(2-[3,4-dimethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol);4-(5-methyl-2-pyridinyl)morpholine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol;2-[4-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol;bis(1,3,4,5-tetramethylpyrazole);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;bis(3,4,5-trimethyl-1H-pyrazole);bis(2-(3,4,5-trimethylpyrazol-1-yl)ethanol);bis(1,3,4-trimethyl-5-(trifluoromethyl)pyrazole).

Molecular Properties

• Compound Name: 4,5-dimethyl-1H-pyrazole;2-(3,4-dimethylpyrazol-1-yl)ethanol;2-(4,5-dimethylpyrazol-1-yl)ethanol;1,4-dimethyl-3-(trifluoromethyl)pyrazole;1,4-dimethyl-5-(trifluoromethyl)pyrazole;bis(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);bis(2-[3,4-dimethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol);4-(5-methyl-2-pyridinyl)morpholine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol;2-[4-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol;bis(1,3,4,5-tetramethylpyrazole);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;bis(3,4,5-trimethyl-1H-pyrazole);bis(2-(3,4,5-trimethylpyrazol-1-yl)ethanol);bis(1,3,4-trimethyl-5-(trifluoromethyl)pyrazole)
• PubChem CID: 159038795
• Molecular Formula: C161H234F36N48O9
• Molecular Weight: 3669.90 g/mol
• Exact Mass: 3667.88
• IUPAC Name: 4,5-dimethyl-1H-pyrazole;2-(3,4-dimethylpyrazol-1-yl)ethanol;2-(4,5-dimethylpyrazol-1-yl)ethanol;1,4-dimethyl-3-(trifluoromethyl)pyrazole;1,4-dimethyl-5-(trifluoromethyl)pyrazole;bis(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);bis(2-[3,4-dimethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol);4-(5-methyl-2-pyridinyl)morpholine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol;2-[4-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol;bis(1,3,4,5-tetramethylpyrazole);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;bis(3,4,5-trimethyl-1H-pyrazole);bis(2-(3,4,5-trimethylpyrazol-1-yl)ethanol);bis(1,3,4-trimethyl-5-(trifluoromethyl)pyrazole)
• SMILES: Cc1[nH]nc(C(F)(F)F)c1C.Cc1[nH]nc(C(F)(F)F)c1C.Cc1ccc(N2CCOCC2)nc1.Cc1cn(C)nc1C.Cc1cn(C)nc1C(F)(F)F.Cc1cn(CCO)nc1C.Cc1cn(CCO)nc1C(F)(F)F.Cc1cn[nH]c1C.Cc1cn[nH]c1C(F)(F)F.Cc1cn[nH]c1C(F)(F)F.Cc1cnn(C)c1C.Cc1cnn(C)c1C(F)(F)F.Cc1cnn(CCO)c1C.Cc1cnn(CCO)c1C(F)(F)F.Cc1n[nH]c(C)c1C.Cc1n[nH]c(C)c1C.Cc1nn(C)c(C(F)(F)F)c1C.Cc1nn(C)c(C(F)(F)F)c1C.Cc1nn(C)c(C)c1C.Cc1nn(C)c(C)c1C.Cc1nn(CCO)c(C(F)(F)F)c1C.Cc1nn(CCO)c(C(F)(F)F)c1C.Cc1nn(CCO)c(C)c1C.Cc1nn(CCO)c(C)c1C
• InChI: InChI=1S/C10H14N2O.2C8H11F3N2O.2C8H14N2O.2C7H9F3N2O.2C7H9F3N2.2C7H12N2O.2C7H12N2.4C6H7F3N2.4C6H10N2.2C5H5F3N2.C5H8N2/c1-9-2-3-10(11-8-9)12-4-6-13-7-5-12;2*1-5-6(2)12-13(3-4-14)7(5)8(9,10)11;2*1-6-7(2)9-10(4-5-11)8(6)3;1-5-4-12(2-3-13)11-6(5)7(8,9)10;1-5-4-11-12(2-3-13)6(5)7(8,9)10;2*1-4-5(2)11-12(3)6(4)7(8,9)10;1-6-5-9(3-4-10)8-7(6)2;1-6-5-8-9(3-4-10)7(6)2;2*1-5-6(2)8-9(4)7(5)3;1-4-3-11(2)10-5(4)6(7,8)9;1-4-3-10-11(2)5(4)6(7,8)9;2*1-3-4(2)10-11-5(3)6(7,8)9;1-5-4-8(3)7-6(5)2;1-5-4-7-8(3)6(5)2;2*1-4-5(2)7-8-6(4)3;2*1-3-2-9-10-4(3)5(6,7)8;1-4-3-6-7-5(4)2/h2-3,8H,4-7H2,1H3;2*14H,3-4H2,1-2H3;2*11H,4-5H2,1-3H3;2*4,13H,2-3H2,1H3;2*1-3H3;2*5,10H,3-4H2,1-2H3;2*1-4H3;2*3H,1-2H3;2*1-2H3,(H,10,11);2*4H,1-3H3;2*1-3H3,(H,7,8);2*2H,1H3,(H,9,10);3H,1-2H3,(H,6,7)
• InChIKey: JVUAOCZNVQZYGY-UHFFFAOYSA-N
• XLogP: 32.87
• TPSA: 673.08 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 50
• Rotatable Bonds: 17
• Heavy Atoms: 254
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3669.90
LogP ≤ 5	32.87
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	50

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-1H-pyrazole;2-(3,4-dimethylpyrazol-1-yl)ethanol;2-(4,5-dimethylpyrazol-1-yl)ethanol;1,4-dimethyl-3-(trifluoromethyl)pyrazole;1,4-dimethyl-5-(trifluoromethyl)pyrazole;bis(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);bis(2-[3,4-dimethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol);4-(5-methyl-2-pyridinyl)morpholine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol;2-[4-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol;bis(1,3,4,5-tetramethylpyrazole);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;bis(3,4,5-trimethyl-1H-pyrazole);bis(2-(3,4,5-trimethylpyrazol-1-yl)ethanol);bis(1,3,4-trimethyl-5-(trifluoromethyl)pyrazole)?

The IUPAC name of 4,5-dimethyl-1H-pyrazole;2-(3,4-dimethylpyrazol-1-yl)ethanol;2-(4,5-dimethylpyrazol-1-yl)ethanol;1,4-dimethyl-3-(trifluoromethyl)pyrazole;1,4-dimethyl-5-(trifluoromethyl)pyrazole;bis(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);bis(2-[3,4-dimethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol);4-(5-methyl-2-pyridinyl)morpholine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol;2-[4-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol;bis(1,3,4,5-tetramethylpyrazole);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;bis(3,4,5-trimethyl-1H-pyrazole);bis(2-(3,4,5-trimethylpyrazol-1-yl)ethanol);bis(1,3,4-trimethyl-5-(trifluoromethyl)pyrazole) (CID 159038795) is 4,5-dimethyl-1H-pyrazole;2-(3,4-dimethylpyrazol-1-yl)ethanol;2-(4,5-dimethylpyrazol-1-yl)ethanol;1,4-dimethyl-3-(trifluoromethyl)pyrazole;1,4-dimethyl-5-(trifluoromethyl)pyrazole;bis(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);bis(2-[3,4-dimethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol);4-(5-methyl-2-pyridinyl)morpholine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol;2-[4-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol;bis(1,3,4,5-tetramethylpyrazole);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;bis(3,4,5-trimethyl-1H-pyrazole);bis(2-(3,4,5-trimethylpyrazol-1-yl)ethanol);bis(1,3,4-trimethyl-5-(trifluoromethyl)pyrazole).

What is the SMILES notation for 4,5-dimethyl-1H-pyrazole;2-(3,4-dimethylpyrazol-1-yl)ethanol;2-(4,5-dimethylpyrazol-1-yl)ethanol;1,4-dimethyl-3-(trifluoromethyl)pyrazole;1,4-dimethyl-5-(trifluoromethyl)pyrazole;bis(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);bis(2-[3,4-dimethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol);4-(5-methyl-2-pyridinyl)morpholine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol;2-[4-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol;bis(1,3,4,5-tetramethylpyrazole);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;bis(3,4,5-trimethyl-1H-pyrazole);bis(2-(3,4,5-trimethylpyrazol-1-yl)ethanol);bis(1,3,4-trimethyl-5-(trifluoromethyl)pyrazole)?

The canonical SMILES for 4,5-dimethyl-1H-pyrazole;2-(3,4-dimethylpyrazol-1-yl)ethanol;2-(4,5-dimethylpyrazol-1-yl)ethanol;1,4-dimethyl-3-(trifluoromethyl)pyrazole;1,4-dimethyl-5-(trifluoromethyl)pyrazole;bis(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);bis(2-[3,4-dimethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol);4-(5-methyl-2-pyridinyl)morpholine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol;2-[4-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol;bis(1,3,4,5-tetramethylpyrazole);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;bis(3,4,5-trimethyl-1H-pyrazole);bis(2-(3,4,5-trimethylpyrazol-1-yl)ethanol);bis(1,3,4-trimethyl-5-(trifluoromethyl)pyrazole) is Cc1[nH]nc(C(F)(F)F)c1C.Cc1[nH]nc(C(F)(F)F)c1C.Cc1ccc(N2CCOCC2)nc1.Cc1cn(C)nc1C.Cc1cn(C)nc1C(F)(F)F.Cc1cn(CCO)nc1C.Cc1cn(CCO)nc1C(F)(F)F.Cc1cn[nH]c1C.Cc1cn[nH]c1C(F)(F)F.Cc1cn[nH]c1C(F)(F)F.Cc1cnn(C)c1C.Cc1cnn(C)c1C(F)(F)F.Cc1cnn(CCO)c1C.Cc1cnn(CCO)c1C(F)(F)F.Cc1n[nH]c(C)c1C.Cc1n[nH]c(C)c1C.Cc1nn(C)c(C(F)(F)F)c1C.Cc1nn(C)c(C(F)(F)F)c1C.Cc1nn(C)c(C)c1C.Cc1nn(C)c(C)c1C.Cc1nn(CCO)c(C(F)(F)F)c1C.Cc1nn(CCO)c(C(F)(F)F)c1C.Cc1nn(CCO)c(C)c1C.Cc1nn(CCO)c(C)c1C.

What is the InChIKey of 4,5-dimethyl-1H-pyrazole;2-(3,4-dimethylpyrazol-1-yl)ethanol;2-(4,5-dimethylpyrazol-1-yl)ethanol;1,4-dimethyl-3-(trifluoromethyl)pyrazole;1,4-dimethyl-5-(trifluoromethyl)pyrazole;bis(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);bis(2-[3,4-dimethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol);4-(5-methyl-2-pyridinyl)morpholine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol;2-[4-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol;bis(1,3,4,5-tetramethylpyrazole);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;bis(3,4,5-trimethyl-1H-pyrazole);bis(2-(3,4,5-trimethylpyrazol-1-yl)ethanol);bis(1,3,4-trimethyl-5-(trifluoromethyl)pyrazole)?

The InChIKey is JVUAOCZNVQZYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O.2C8H11F3N2O.2C8H14N2O.2C7H9F3N2O.2C7H9F3N2.2C7H12N2O.2C7H12N2.4C6H7F3N2.4C6H10N2.2C5H5F3N2.C5H8N2/c1-9-2-3-10(11-8-9)12-4-6-13-7-5-12;2*1-5-6(2)12-13(3-4-14)7(5)8(9,10)11;2*1-6-7(2)9-10(4-5-11)8(6)3;1-5-4-12(2-3-13)11-6(5)7(8,9)10;1-5-4-11-12(2-3-13)6(5)7(8,9)10;2*1-4-5(2)11-12(3)6(4)7(8,9)10;1-6-5-9(3-4-10)8-7(6)2;1-6-5-8-9(3-4-10)7(6)2;2*1-5-6(2)8-9(4)7(5)3;1-4-3-11(2)10-5(4)6(7,8)9;1-4-3-10-11(2)5(4)6(7,8)9;2*1-3-4(2)10-11-5(3)6(7,8)9;1-5-4-8(3)7-6(5)2;1-5-4-7-8(3)6(5)2;2*1-4-5(2)7-8-6(4)3;2*1-3-2-9-10-4(3)5(6,7)8;1-4-3-6-7-5(4)2/h2-3,8H,4-7H2,1H3;2*14H,3-4H2,1-2H3;2*11H,4-5H2,1-3H3;2*4,13H,2-3H2,1H3;2*1-3H3;2*5,10H,3-4H2,1-2H3;2*1-4H3;2*3H,1-2H3;2*1-2H3,(H,10,11);2*4H,1-3H3;2*1-3H3,(H,7,8);2*2H,1H3,(H,9,10);3H,1-2H3,(H,6,7).

What are the key properties of 4,5-dimethyl-1H-pyrazole;2-(3,4-dimethylpyrazol-1-yl)ethanol;2-(4,5-dimethylpyrazol-1-yl)ethanol;1,4-dimethyl-3-(trifluoromethyl)pyrazole;1,4-dimethyl-5-(trifluoromethyl)pyrazole;bis(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);bis(2-[3,4-dimethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol);4-(5-methyl-2-pyridinyl)morpholine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol;2-[4-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol;bis(1,3,4,5-tetramethylpyrazole);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;bis(3,4,5-trimethyl-1H-pyrazole);bis(2-(3,4,5-trimethylpyrazol-1-yl)ethanol);bis(1,3,4-trimethyl-5-(trifluoromethyl)pyrazole)?

4,5-dimethyl-1H-pyrazole;2-(3,4-dimethylpyrazol-1-yl)ethanol;2-(4,5-dimethylpyrazol-1-yl)ethanol;1,4-dimethyl-3-(trifluoromethyl)pyrazole;1,4-dimethyl-5-(trifluoromethyl)pyrazole;bis(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);bis(2-[3,4-dimethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol);4-(5-methyl-2-pyridinyl)morpholine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol;2-[4-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol;bis(1,3,4,5-tetramethylpyrazole);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;bis(3,4,5-trimethyl-1H-pyrazole);bis(2-(3,4,5-trimethylpyrazol-1-yl)ethanol);bis(1,3,4-trimethyl-5-(trifluoromethyl)pyrazole) has a molecular weight of 3669.90 g/mol, XLogP of 32.87, 17 rotatable bonds, 15 hydrogen bond donors, and 50 hydrogen bond acceptors.

Where does this data come from?

All data for 4,5-dimethyl-1H-pyrazole;2-(3,4-dimethylpyrazol-1-yl)ethanol;2-(4,5-dimethylpyrazol-1-yl)ethanol;1,4-dimethyl-3-(trifluoromethyl)pyrazole;1,4-dimethyl-5-(trifluoromethyl)pyrazole;bis(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);bis(2-[3,4-dimethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol);4-(5-methyl-2-pyridinyl)morpholine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol;2-[4-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol;bis(1,3,4,5-tetramethylpyrazole);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;bis(3,4,5-trimethyl-1H-pyrazole);bis(2-(3,4,5-trimethylpyrazol-1-yl)ethanol);bis(1,3,4-trimethyl-5-(trifluoromethyl)pyrazole) is sourced from PubChem (CID 159038795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).