N',N'-bis(2-methoxyethyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine

C12H24N4O2 — CID 113280024

IUPACN',N'-bis(2-methoxyethyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
SMILESCOCCN(CCOC)CC(N)c1cnn(C)c1
InChIInChI=1S/C12H24N4O2/c1-15-9-11(8-14-15)12(13)10-16(4-6-17-2)5-7-18-3/h8-9,12H,4-7,10,13H2,1-3H3
InChIKeyUYRORJPBMUSGSO-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.01
Rot. Bonds9

About N',N'-bis(2-methoxyethyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine

N',N'-bis(2-methoxyethyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine (PubChem CID 113280024) has the molecular formula C12H24N4O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is N',N'-bis(2-methoxyethyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-bis(2-methoxyethyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
PubChem CID113280024
Molecular FormulaC12H24N4O2
Molecular Weight256.35 g/mol
Exact Mass256.19
IUPAC NameN',N'-bis(2-methoxyethyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
SMILESCOCCN(CCOC)CC(N)c1cnn(C)c1
InChIInChI=1S/C12H24N4O2/c1-15-9-11(8-14-15)12(13)10-16(4-6-17-2)5-7-18-3/h8-9,12H,4-7,10,13H2,1-3H3
InChIKeyUYRORJPBMUSGSO-UHFFFAOYSA-N
XLogP0.01
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N'-butan-2-yl-N'-(2-methoxyethyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 115291231
1-(1-methylpyrazol-4-yl)-N',N'-dipropylethane-1,2-diamine
CID 115291096
N'-[2-amino-2-(1-methylpyrazol-4-yl)ethyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102994511
N'-methyl-1-(1-methylpyrazol-4-yl)-N'-propylethane-1,2-diamine
CID 115291130
N-(2-methoxyethyl)-N-(2-methylpropyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 54987034
(2S)-2-amino-2-(1-methylpyrazol-4-yl)ethanol
CID 93471722
(1R)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 93094324
N'-methyl-1-(1-methylpyrazol-4-yl)-N'-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112660793
N'-[2-(cyclopropylmethoxy)ethyl]-N'-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 115291370
N'-(3,3-dimethylbutan-2-yl)-N'-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 113280046
(3R)-3-amino-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 94420132
N'-(3-methoxyphenyl)-N'-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 115291259

Frequently Asked Questions

What is the IUPAC name of N',N'-bis(2-methoxyethyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
The IUPAC name of N',N'-bis(2-methoxyethyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine (CID 113280024) is N',N'-bis(2-methoxyethyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-bis(2-methoxyethyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
The canonical SMILES for N',N'-bis(2-methoxyethyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine is COCCN(CCOC)CC(N)c1cnn(C)c1.
What is the InChIKey of N',N'-bis(2-methoxyethyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
The InChIKey is UYRORJPBMUSGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2/c1-15-9-11(8-14-15)12(13)10-16(4-6-17-2)5-7-18-3/h8-9,12H,4-7,10,13H2,1-3H3.
What are the key properties of N',N'-bis(2-methoxyethyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
N',N'-bis(2-methoxyethyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine has a molecular weight of 256.35 g/mol, XLogP of 0.01, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-bis(2-methoxyethyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 113280024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).