N'-methyl-N'-[[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine

C17H31N5O — CID 86301537

IUPACN'-methyl-N'-[[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
SMILESCN(CCN)Cc1cn[nH]c1C1CCC(N2CCOCC2)CC1
InChIInChI=1S/C17H31N5O/c1-21(7-6-18)13-15-12-19-20-17(15)14-2-4-16(5-3-14)22-8-10-23-11-9-22/h12,14,16H,2-11,13,18H2,1H3,(H,19,20)
InChIKeyGZDYAGVXFKFBTR-UHFFFAOYSA-N
MW321.47 g/mol
LogP1.16
Rot. Bonds6

About N'-methyl-N'-[[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine

N'-methyl-N'-[[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine (PubChem CID 86301537) has the molecular formula C17H31N5O and a molecular weight of 321.47 g/mol. Its IUPAC name is N'-methyl-N'-[[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-[[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
PubChem CID86301537
Molecular FormulaC17H31N5O
Molecular Weight321.47 g/mol
Exact Mass321.25
IUPAC NameN'-methyl-N'-[[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
SMILESCN(CCN)Cc1cn[nH]c1C1CCC(N2CCOCC2)CC1
InChIInChI=1S/C17H31N5O/c1-21(7-6-18)13-15-12-19-20-17(15)14-2-4-16(5-3-14)22-8-10-23-11-9-22/h12,14,16H,2-11,13,18H2,1H3,(H,19,20)
InChIKeyGZDYAGVXFKFBTR-UHFFFAOYSA-N
XLogP1.16
TPSA70.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-[[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine (CID 86301537) is N'-methyl-N'-[[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-[[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-[[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine is CN(CCN)Cc1cn[nH]c1C1CCC(N2CCOCC2)CC1.
What is the InChIKey of N'-methyl-N'-[[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine?
The InChIKey is GZDYAGVXFKFBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N5O/c1-21(7-6-18)13-15-12-19-20-17(15)14-2-4-16(5-3-14)22-8-10-23-11-9-22/h12,14,16H,2-11,13,18H2,1H3,(H,19,20).
What are the key properties of N'-methyl-N'-[[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine?
N'-methyl-N'-[[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine has a molecular weight of 321.47 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-[[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 86301537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).