N'-[[3-[4-(ethoxymethyl)-4-(3,3,3-trifluoropropyl)cyclohexyl]-5,5-difluoro-4,6-dihydropyrrolo[1,2-b]pyrazol-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine

C23H37F5N4O — CID 139451534

About N'-[[3-[4-(ethoxymethyl)-4-(3,3,3-trifluoropropyl)cyclohexyl]-5,5-difluoro-4,6-dihydropyrrolo[1,2-b]pyrazol-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine

N'-[[3-[4-(ethoxymethyl)-4-(3,3,3-trifluoropropyl)cyclohexyl]-5,5-difluoro-4,6-dihydropyrrolo[1,2-b]pyrazol-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine (PubChem CID 139451534) has the molecular formula C23H37F5N4O and a molecular weight of 480.57 g/mol. Its IUPAC name is N'-[[3-[4-(ethoxymethyl)-4-(3,3,3-trifluoropropyl)cyclohexyl]-5,5-difluoro-4,6-dihydropyrrolo[1,2-b]pyrazol-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

• Compound Name: N'-[[3-[4-(ethoxymethyl)-4-(3,3,3-trifluoropropyl)cyclohexyl]-5,5-difluoro-4,6-dihydropyrrolo[1,2-b]pyrazol-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine
• PubChem CID: 139451534
• Molecular Formula: C23H37F5N4O
• Molecular Weight: 480.57 g/mol
• Exact Mass: 480.29
• IUPAC Name: N'-[[3-[4-(ethoxymethyl)-4-(3,3,3-trifluoropropyl)cyclohexyl]-5,5-difluoro-4,6-dihydropyrrolo[1,2-b]pyrazol-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine
• SMILES: CCOCC1(CCC(F)(F)F)CCC(c2c(CN(C)CCNC)nn3c2CC(F)(F)C3)CC1
• InChI: InChI=1S/C23H37F5N4O/c1-4-33-16-21(9-10-23(26,27)28)7-5-17(6-8-21)20-18(14-31(3)12-11-29-2)30-32-15-22(24,25)13-19(20)32/h17,29H,4-16H2,1-3H3
• InChIKey: YKSKSQHQBXFYEO-UHFFFAOYSA-N
• XLogP: 4.75
• TPSA: 42.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.57
LogP ≤ 5	4.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N'-[[3-[4-(ethoxymethyl)-4-(3,3,3-trifluoropropyl)cyclohexyl]-5,5-difluoro-4,6-dihydropyrrolo[1,2-b]pyrazol-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine?

The IUPAC name of N'-[[3-[4-(ethoxymethyl)-4-(3,3,3-trifluoropropyl)cyclohexyl]-5,5-difluoro-4,6-dihydropyrrolo[1,2-b]pyrazol-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine (CID 139451534) is N'-[[3-[4-(ethoxymethyl)-4-(3,3,3-trifluoropropyl)cyclohexyl]-5,5-difluoro-4,6-dihydropyrrolo[1,2-b]pyrazol-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine.

What is the SMILES notation for N'-[[3-[4-(ethoxymethyl)-4-(3,3,3-trifluoropropyl)cyclohexyl]-5,5-difluoro-4,6-dihydropyrrolo[1,2-b]pyrazol-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine?

The canonical SMILES for N'-[[3-[4-(ethoxymethyl)-4-(3,3,3-trifluoropropyl)cyclohexyl]-5,5-difluoro-4,6-dihydropyrrolo[1,2-b]pyrazol-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine is CCOCC1(CCC(F)(F)F)CCC(c2c(CN(C)CCNC)nn3c2CC(F)(F)C3)CC1.

What is the InChIKey of N'-[[3-[4-(ethoxymethyl)-4-(3,3,3-trifluoropropyl)cyclohexyl]-5,5-difluoro-4,6-dihydropyrrolo[1,2-b]pyrazol-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine?

The InChIKey is YKSKSQHQBXFYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37F5N4O/c1-4-33-16-21(9-10-23(26,27)28)7-5-17(6-8-21)20-18(14-31(3)12-11-29-2)30-32-15-22(24,25)13-19(20)32/h17,29H,4-16H2,1-3H3.

What are the key properties of N'-[[3-[4-(ethoxymethyl)-4-(3,3,3-trifluoropropyl)cyclohexyl]-5,5-difluoro-4,6-dihydropyrrolo[1,2-b]pyrazol-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine?

N'-[[3-[4-(ethoxymethyl)-4-(3,3,3-trifluoropropyl)cyclohexyl]-5,5-difluoro-4,6-dihydropyrrolo[1,2-b]pyrazol-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine has a molecular weight of 480.57 g/mol, XLogP of 4.75, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[[3-[4-(ethoxymethyl)-4-(3,3,3-trifluoropropyl)cyclohexyl]-5,5-difluoro-4,6-dihydropyrrolo[1,2-b]pyrazol-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 139451534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).