N'-methyl-N'-[[3-(4-morpholin-4-ylcyclohexyl)-1-(oxan-2-yl)pyrazol-4-yl]methyl]ethane-1,2-diamine

C22H39N5O2 — CID 121442675

IUPACN'-methyl-N'-[[3-(4-morpholin-4-ylcyclohexyl)-1-(oxan-2-yl)pyrazol-4-yl]methyl]ethane-1,2-diamine
SMILESCN(CCN)Cc1cn(C2CCCCO2)nc1C1CCC(N2CCOCC2)CC1
InChIInChI=1S/C22H39N5O2/c1-25(10-9-23)16-19-17-27(21-4-2-3-13-29-21)24-22(19)18-5-7-20(8-6-18)26-11-14-28-15-12-26/h17-18,20-21H,2-16,23H2,1H3
InChIKeyIMHLWASNUJBZJQ-UHFFFAOYSA-N
MW405.59 g/mol
LogP2.33
Rot. Bonds7

About N'-methyl-N'-[[3-(4-morpholin-4-ylcyclohexyl)-1-(oxan-2-yl)pyrazol-4-yl]methyl]ethane-1,2-diamine

N'-methyl-N'-[[3-(4-morpholin-4-ylcyclohexyl)-1-(oxan-2-yl)pyrazol-4-yl]methyl]ethane-1,2-diamine (PubChem CID 121442675) has the molecular formula C22H39N5O2 and a molecular weight of 405.59 g/mol. Its IUPAC name is N'-methyl-N'-[[3-(4-morpholin-4-ylcyclohexyl)-1-(oxan-2-yl)pyrazol-4-yl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-[[3-(4-morpholin-4-ylcyclohexyl)-1-(oxan-2-yl)pyrazol-4-yl]methyl]ethane-1,2-diamine
PubChem CID121442675
Molecular FormulaC22H39N5O2
Molecular Weight405.59 g/mol
Exact Mass405.31
IUPAC NameN'-methyl-N'-[[3-(4-morpholin-4-ylcyclohexyl)-1-(oxan-2-yl)pyrazol-4-yl]methyl]ethane-1,2-diamine
SMILESCN(CCN)Cc1cn(C2CCCCO2)nc1C1CCC(N2CCOCC2)CC1
InChIInChI=1S/C22H39N5O2/c1-25(10-9-23)16-19-17-27(21-4-2-3-13-29-21)24-22(19)18-5-7-20(8-6-18)26-11-14-28-15-12-26/h17-18,20-21H,2-16,23H2,1H3
InChIKeyIMHLWASNUJBZJQ-UHFFFAOYSA-N
XLogP2.33
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.59
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[[3-(4-morpholin-4-ylcyclohexyl)-1-(oxan-2-yl)pyrazol-4-yl]methyl]ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-[[3-(4-morpholin-4-ylcyclohexyl)-1-(oxan-2-yl)pyrazol-4-yl]methyl]ethane-1,2-diamine (CID 121442675) is N'-methyl-N'-[[3-(4-morpholin-4-ylcyclohexyl)-1-(oxan-2-yl)pyrazol-4-yl]methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-[[3-(4-morpholin-4-ylcyclohexyl)-1-(oxan-2-yl)pyrazol-4-yl]methyl]ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-[[3-(4-morpholin-4-ylcyclohexyl)-1-(oxan-2-yl)pyrazol-4-yl]methyl]ethane-1,2-diamine is CN(CCN)Cc1cn(C2CCCCO2)nc1C1CCC(N2CCOCC2)CC1.
What is the InChIKey of N'-methyl-N'-[[3-(4-morpholin-4-ylcyclohexyl)-1-(oxan-2-yl)pyrazol-4-yl]methyl]ethane-1,2-diamine?
The InChIKey is IMHLWASNUJBZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39N5O2/c1-25(10-9-23)16-19-17-27(21-4-2-3-13-29-21)24-22(19)18-5-7-20(8-6-18)26-11-14-28-15-12-26/h17-18,20-21H,2-16,23H2,1H3.
What are the key properties of N'-methyl-N'-[[3-(4-morpholin-4-ylcyclohexyl)-1-(oxan-2-yl)pyrazol-4-yl]methyl]ethane-1,2-diamine?
N'-methyl-N'-[[3-(4-morpholin-4-ylcyclohexyl)-1-(oxan-2-yl)pyrazol-4-yl]methyl]ethane-1,2-diamine has a molecular weight of 405.59 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-[[3-(4-morpholin-4-ylcyclohexyl)-1-(oxan-2-yl)pyrazol-4-yl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 121442675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).