N'-ethyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethane-1,2-diamine

C11H22N4 — CID 103102216

IUPACN'-ethyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethane-1,2-diamine
SMILESCCN(CCN)Cc1c(C)nn(C)c1C
InChIInChI=1S/C11H22N4/c1-5-15(7-6-12)8-11-9(2)13-14(4)10(11)3/h5-8,12H2,1-4H3
InChIKeyMUOBIUTWRNPOLI-UHFFFAOYSA-N
MW210.32 g/mol
LogP0.82
Rot. Bonds5

About N'-ethyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethane-1,2-diamine

N'-ethyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethane-1,2-diamine (PubChem CID 103102216) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is N'-ethyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethane-1,2-diamine
PubChem CID103102216
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC NameN'-ethyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethane-1,2-diamine
SMILESCCN(CCN)Cc1c(C)nn(C)c1C
InChIInChI=1S/C11H22N4/c1-5-15(7-6-12)8-11-9(2)13-14(4)10(11)3/h5-8,12H2,1-4H3
InChIKeyMUOBIUTWRNPOLI-UHFFFAOYSA-N
XLogP0.82
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-methyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 62682565
N'-methyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 115318737
ethane;4-ethyl-1,3,5-trimethylpyrazole
CID 143917345
4-(diethylaminomethyl)-1,3-dimethylpyrazol-5-amine
CID 62178598
N'-[(1,5-dimethylpyrazol-4-yl)methyl]-N'-ethylethane-1,2-diamine
CID 103102219
2-(1,3,5-trimethylpyrazol-4-yl)ethanamine;hydrochloride
CID 50988502
N'-ethyl-N'-[(2,3,4,5,6-pentafluorophenyl)methyl]ethane-1,2-diamine
CID 103102090
N',2,2-trimethyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 79645097
3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-ethylamino]propanethioamide
CID 113469983
3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-ethylamino]propan-1-ol
CID 115666454
N'-[4-(2-aminoethyl)-1,3-dimethylpyrazol-5-yl]-N,N,N'-triethylpropane-1,3-diamine
CID 102998272
4-(3-fluoropropyl)-1,3,5-trimethylpyrazole
CID 83930090

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethane-1,2-diamine (CID 103102216) is N'-ethyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethane-1,2-diamine is CCN(CCN)Cc1c(C)nn(C)c1C.
What is the InChIKey of N'-ethyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethane-1,2-diamine?
The InChIKey is MUOBIUTWRNPOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-5-15(7-6-12)8-11-9(2)13-14(4)10(11)3/h5-8,12H2,1-4H3.
What are the key properties of N'-ethyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethane-1,2-diamine?
N'-ethyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethane-1,2-diamine has a molecular weight of 210.32 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 103102216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).