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

C22H37N5O2 — CID 121442674

IUPACN'-methyl-N'-[[3-(4-morpholin-4-ylcyclohexen-1-yl)-1-(oxan-2-yl)pyrazol-4-yl]methyl]ethane-1,2-diamine
SMILESCN(CCN)Cc1cn(C2CCCCO2)nc1C1=CCC(N2CCOCC2)CC1
InChIInChI=1S/C22H37N5O2/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/h5,17,20-21H,2-4,6-16,23H2,1H3
InChIKeyCXJDXZYECGTUET-UHFFFAOYSA-N
MW403.57 g/mol
LogP2.24
Rot. Bonds7

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

N'-methyl-N'-[[3-(4-morpholin-4-ylcyclohexen-1-yl)-1-(oxan-2-yl)pyrazol-4-yl]methyl]ethane-1,2-diamine (PubChem CID 121442674) has the molecular formula C22H37N5O2 and a molecular weight of 403.57 g/mol. Its IUPAC name is N'-methyl-N'-[[3-(4-morpholin-4-ylcyclohexen-1-yl)-1-(oxan-2-yl)pyrazol-4-yl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-[[3-(4-morpholin-4-ylcyclohexen-1-yl)-1-(oxan-2-yl)pyrazol-4-yl]methyl]ethane-1,2-diamine
PubChem CID121442674
Molecular FormulaC22H37N5O2
Molecular Weight403.57 g/mol
Exact Mass403.29
IUPAC NameN'-methyl-N'-[[3-(4-morpholin-4-ylcyclohexen-1-yl)-1-(oxan-2-yl)pyrazol-4-yl]methyl]ethane-1,2-diamine
SMILESCN(CCN)Cc1cn(C2CCCCO2)nc1C1=CCC(N2CCOCC2)CC1
InChIInChI=1S/C22H37N5O2/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/h5,17,20-21H,2-4,6-16,23H2,1H3
InChIKeyCXJDXZYECGTUET-UHFFFAOYSA-N
XLogP2.24
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.57
LogP ≤ 52.24
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-ylcyclohexen-1-yl)-1-(oxan-2-yl)pyrazol-4-yl]methyl]ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-[[3-(4-morpholin-4-ylcyclohexen-1-yl)-1-(oxan-2-yl)pyrazol-4-yl]methyl]ethane-1,2-diamine (CID 121442674) is N'-methyl-N'-[[3-(4-morpholin-4-ylcyclohexen-1-yl)-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-ylcyclohexen-1-yl)-1-(oxan-2-yl)pyrazol-4-yl]methyl]ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-[[3-(4-morpholin-4-ylcyclohexen-1-yl)-1-(oxan-2-yl)pyrazol-4-yl]methyl]ethane-1,2-diamine is CN(CCN)Cc1cn(C2CCCCO2)nc1C1=CCC(N2CCOCC2)CC1.
What is the InChIKey of N'-methyl-N'-[[3-(4-morpholin-4-ylcyclohexen-1-yl)-1-(oxan-2-yl)pyrazol-4-yl]methyl]ethane-1,2-diamine?
The InChIKey is CXJDXZYECGTUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N5O2/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/h5,17,20-21H,2-4,6-16,23H2,1H3.
What are the key properties of N'-methyl-N'-[[3-(4-morpholin-4-ylcyclohexen-1-yl)-1-(oxan-2-yl)pyrazol-4-yl]methyl]ethane-1,2-diamine?
N'-methyl-N'-[[3-(4-morpholin-4-ylcyclohexen-1-yl)-1-(oxan-2-yl)pyrazol-4-yl]methyl]ethane-1,2-diamine has a molecular weight of 403.57 g/mol, XLogP of 2.24, 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-ylcyclohexen-1-yl)-1-(oxan-2-yl)pyrazol-4-yl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 121442674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).