N'-[[3-(4-ethylsulfonylcyclohexyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine

C19H34N4O2S — CID 139456656

IUPACN'-[[3-(4-ethylsulfonylcyclohexyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine
SMILESCCS(=O)(=O)C1CCC(c2c(CN(C)CCNC)nn3c2CCC3)CC1
InChIInChI=1S/C19H34N4O2S/c1-4-26(24,25)16-9-7-15(8-10-16)19-17(14-22(3)13-11-20-2)21-23-12-5-6-18(19)23/h15-16,20H,4-14H2,1-3H3
InChIKeyTZMAFCJCSBKKHM-UHFFFAOYSA-N
MW382.57 g/mol
LogP1.94
Rot. Bonds8

About N'-[[3-(4-ethylsulfonylcyclohexyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine

N'-[[3-(4-ethylsulfonylcyclohexyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine (PubChem CID 139456656) has the molecular formula C19H34N4O2S and a molecular weight of 382.57 g/mol. Its IUPAC name is N'-[[3-(4-ethylsulfonylcyclohexyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[3-(4-ethylsulfonylcyclohexyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine
PubChem CID139456656
Molecular FormulaC19H34N4O2S
Molecular Weight382.57 g/mol
Exact Mass382.24
IUPAC NameN'-[[3-(4-ethylsulfonylcyclohexyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine
SMILESCCS(=O)(=O)C1CCC(c2c(CN(C)CCNC)nn3c2CCC3)CC1
InChIInChI=1S/C19H34N4O2S/c1-4-26(24,25)16-9-7-15(8-10-16)19-17(14-22(3)13-11-20-2)21-23-12-5-6-18(19)23/h15-16,20H,4-14H2,1-3H3
InChIKeyTZMAFCJCSBKKHM-UHFFFAOYSA-N
XLogP1.94
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.57
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N'-[[3-(4-ethylsulfonylcyclohexyl)-5,6-dihydro-4H-pyrrolo[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-ethylsulfonylcyclohexyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-[[3-(4-ethylsulfonylcyclohexyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine (CID 139456656) is N'-[[3-(4-ethylsulfonylcyclohexyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-[[3-(4-ethylsulfonylcyclohexyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-[[3-(4-ethylsulfonylcyclohexyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine is CCS(=O)(=O)C1CCC(c2c(CN(C)CCNC)nn3c2CCC3)CC1.
What is the InChIKey of N'-[[3-(4-ethylsulfonylcyclohexyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine?
The InChIKey is TZMAFCJCSBKKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O2S/c1-4-26(24,25)16-9-7-15(8-10-16)19-17(14-22(3)13-11-20-2)21-23-12-5-6-18(19)23/h15-16,20H,4-14H2,1-3H3.
What are the key properties of N'-[[3-(4-ethylsulfonylcyclohexyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine?
N'-[[3-(4-ethylsulfonylcyclohexyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine has a molecular weight of 382.57 g/mol, XLogP of 1.94, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[3-(4-ethylsulfonylcyclohexyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 139456656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).