3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole;3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide

C124H180N26O3S2 — CID 158054097

About 3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole;3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide

3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole;3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide (PubChem CID 158054097) has the molecular formula C124H180N26O3S2 and a molecular weight of 2147.12 g/mol. Its IUPAC name is 3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole;3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide.

Molecular Properties

• Compound Name: 3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole;3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide
• PubChem CID: 158054097
• Molecular Formula: C124H180N26O3S2
• Molecular Weight: 2147.12 g/mol
• Exact Mass: 2145.42
• IUPAC Name: 3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole;3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide
• SMILES: CC(C)c1[nH]nc2ccccc12.CC(C)c1cc2n(n1)CCCC2.CC(C)c1cn2c(n1)CCCC2.CC(C)c1cnc2ccccn12.CC(C)c1cnc2n1CCCC2.CC(C)c1cnn2c1CCCC2.CC(C)c1cnn2ccccc12.CC(C)c1n[nH]c2c1CCCC2.CC(C)c1n[nH]c2c1COCC2.CC(C)c1n[nH]c2c1CS(=O)(=O)CC2.CC(C)c1n[nH]c2c1CSCC2.CC(C)n1cnc2ccccc21.Cc1cnn2c1CCC2
• InChI: InChI=1S/2C10H16N2.C10H12N2.C10H16N2.2C10H12N2.2C10H16N2.C10H12N2.C9H14N2O2S.C9H14N2O.C9H14N2S.C7H10N2/c1-8(2)9-7-12-6-4-3-5-10(12)11-9;2*1-8(2)9-7-11-10-5-3-4-6-12(9)10;2*1-8(2)9-7-11-12-6-4-3-5-10(9)12;1-8(2)12-7-11-9-5-3-4-6-10(9)12;1-8(2)10-7-9-5-3-4-6-12(9)11-10;2*1-7(2)10-8-5-3-4-6-9(8)11-12-10;1-6(2)9-7-5-14(12,13)4-3-8(7)10-11-9;2*1-6(2)9-7-5-12-4-3-8(7)10-11-9;1-6-5-8-9-4-2-3-7(6)9/h2*7-8H,3-6H2,1-2H3;3-8H,1-2H3;7-8H,3-6H2,1-2H3;2*3-8H,1-2H3;7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3,(H,11,12);3-7H,1-2H3,(H,11,12);6H,3-5H2,1-2H3,(H,10,11);2*6H,3-5H2,1-2H3,(H,10,11);5H,2-4H2,1H3
• InChIKey: FJVHZEDTGJGIGF-UHFFFAOYSA-N
• XLogP: 28.07
• TPSA: 328.29 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 12
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2147.12
LogP ≤ 5	28.07
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole;3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide?

The IUPAC name of 3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole;3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide (CID 158054097) is 3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole;3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide.

What is the SMILES notation for 3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole;3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide?

The canonical SMILES for 3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole;3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide is CC(C)c1[nH]nc2ccccc12.CC(C)c1cc2n(n1)CCCC2.CC(C)c1cn2c(n1)CCCC2.CC(C)c1cnc2ccccn12.CC(C)c1cnc2n1CCCC2.CC(C)c1cnn2c1CCCC2.CC(C)c1cnn2ccccc12.CC(C)c1n[nH]c2c1CCCC2.CC(C)c1n[nH]c2c1COCC2.CC(C)c1n[nH]c2c1CS(=O)(=O)CC2.CC(C)c1n[nH]c2c1CSCC2.CC(C)n1cnc2ccccc21.Cc1cnn2c1CCC2.

What is the InChIKey of 3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole;3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide?

The InChIKey is FJVHZEDTGJGIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H16N2.C10H12N2.C10H16N2.2C10H12N2.2C10H16N2.C10H12N2.C9H14N2O2S.C9H14N2O.C9H14N2S.C7H10N2/c1-8(2)9-7-12-6-4-3-5-10(12)11-9;2*1-8(2)9-7-11-10-5-3-4-6-12(9)10;2*1-8(2)9-7-11-12-6-4-3-5-10(9)12;1-8(2)12-7-11-9-5-3-4-6-10(9)12;1-8(2)10-7-9-5-3-4-6-12(9)11-10;2*1-7(2)10-8-5-3-4-6-9(8)11-12-10;1-6(2)9-7-5-14(12,13)4-3-8(7)10-11-9;2*1-6(2)9-7-5-12-4-3-8(7)10-11-9;1-6-5-8-9-4-2-3-7(6)9/h2*7-8H,3-6H2,1-2H3;3-8H,1-2H3;7-8H,3-6H2,1-2H3;2*3-8H,1-2H3;7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3,(H,11,12);3-7H,1-2H3,(H,11,12);6H,3-5H2,1-2H3,(H,10,11);2*6H,3-5H2,1-2H3,(H,10,11);5H,2-4H2,1H3.

What are the key properties of 3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole;3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide?

3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole;3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide has a molecular weight of 2147.12 g/mol, XLogP of 28.07, 12 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole;3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide is sourced from PubChem (CID 158054097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).