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

C20H34F2N4O — CID 153339587

IUPACN'-[[3-[4-(ethoxymethyl)cyclohexyl]-5,5-difluoro-4,6-dihydropyrrolo[1,2-b]pyrazol-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine
SMILESCCOCC1CCC(c2c(CN(C)CCNC)nn3c2CC(F)(F)C3)CC1
InChIInChI=1S/C20H34F2N4O/c1-4-27-13-15-5-7-16(8-6-15)19-17(12-25(3)10-9-23-2)24-26-14-20(21,22)11-18(19)26/h15-16,23H,4-14H2,1-3H3
InChIKeyWLLQYCAQUUOSKI-UHFFFAOYSA-N
MW384.52 g/mol
LogP3.04
Rot. Bonds9

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

N'-[[3-[4-(ethoxymethyl)cyclohexyl]-5,5-difluoro-4,6-dihydropyrrolo[1,2-b]pyrazol-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine (PubChem CID 153339587) has the molecular formula C20H34F2N4O and a molecular weight of 384.52 g/mol. Its IUPAC name is N'-[[3-[4-(ethoxymethyl)cyclohexyl]-5,5-difluoro-4,6-dihydropyrrolo[1,2-b]pyrazol-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[3-[4-(ethoxymethyl)cyclohexyl]-5,5-difluoro-4,6-dihydropyrrolo[1,2-b]pyrazol-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine
PubChem CID153339587
Molecular FormulaC20H34F2N4O
Molecular Weight384.52 g/mol
Exact Mass384.27
IUPAC NameN'-[[3-[4-(ethoxymethyl)cyclohexyl]-5,5-difluoro-4,6-dihydropyrrolo[1,2-b]pyrazol-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine
SMILESCCOCC1CCC(c2c(CN(C)CCNC)nn3c2CC(F)(F)C3)CC1
InChIInChI=1S/C20H34F2N4O/c1-4-27-13-15-5-7-16(8-6-15)19-17(12-25(3)10-9-23-2)24-26-14-20(21,22)11-18(19)26/h15-16,23H,4-14H2,1-3H3
InChIKeyWLLQYCAQUUOSKI-UHFFFAOYSA-N
XLogP3.04
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of N'-[[3-[4-(ethoxymethyl)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)cyclohexyl]-5,5-difluoro-4,6-dihydropyrrolo[1,2-b]pyrazol-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine (CID 153339587) is N'-[[3-[4-(ethoxymethyl)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)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)cyclohexyl]-5,5-difluoro-4,6-dihydropyrrolo[1,2-b]pyrazol-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine is CCOCC1CCC(c2c(CN(C)CCNC)nn3c2CC(F)(F)C3)CC1.
What is the InChIKey of N'-[[3-[4-(ethoxymethyl)cyclohexyl]-5,5-difluoro-4,6-dihydropyrrolo[1,2-b]pyrazol-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine?
The InChIKey is WLLQYCAQUUOSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34F2N4O/c1-4-27-13-15-5-7-16(8-6-15)19-17(12-25(3)10-9-23-2)24-26-14-20(21,22)11-18(19)26/h15-16,23H,4-14H2,1-3H3.
What are the key properties of N'-[[3-[4-(ethoxymethyl)cyclohexyl]-5,5-difluoro-4,6-dihydropyrrolo[1,2-b]pyrazol-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine?
N'-[[3-[4-(ethoxymethyl)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 384.52 g/mol, XLogP of 3.04, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[3-[4-(ethoxymethyl)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 153339587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).