N'-ethyl-N'-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]ethane-1,2-diamine

C12H24N4 — CID 66657948

IUPACN'-ethyl-N'-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]ethane-1,2-diamine
SMILESCCN(CCN)C(C)c1cnn(CC)c1C
InChIInChI=1S/C12H24N4/c1-5-15(8-7-13)10(3)12-9-14-16(6-2)11(12)4/h9-10H,5-8,13H2,1-4H3
InChIKeyHSDWUKLMMVVMDF-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.55
Rot. Bonds6

About N'-ethyl-N'-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]ethane-1,2-diamine

N'-ethyl-N'-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]ethane-1,2-diamine (PubChem CID 66657948) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is N'-ethyl-N'-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]ethane-1,2-diamine
PubChem CID66657948
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC NameN'-ethyl-N'-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]ethane-1,2-diamine
SMILESCCN(CCN)C(C)c1cnn(CC)c1C
InChIInChI=1S/C12H24N4/c1-5-15(8-7-13)10(3)12-9-14-16(6-2)11(12)4/h9-10H,5-8,13H2,1-4H3
InChIKeyHSDWUKLMMVVMDF-UHFFFAOYSA-N
XLogP1.55
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]ethane-1,2-diamine (CID 66657948) is N'-ethyl-N'-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]ethane-1,2-diamine is CCN(CCN)C(C)c1cnn(CC)c1C.
What is the InChIKey of N'-ethyl-N'-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]ethane-1,2-diamine?
The InChIKey is HSDWUKLMMVVMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-5-15(8-7-13)10(3)12-9-14-16(6-2)11(12)4/h9-10H,5-8,13H2,1-4H3.
What are the key properties of N'-ethyl-N'-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]ethane-1,2-diamine?
N'-ethyl-N'-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]ethane-1,2-diamine has a molecular weight of 224.35 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 66657948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).