1-(1,3-dimethylpyrazol-4-yl)-N-(2-methoxypropyl)ethane-1,2-diamine

C11H22N4O — CID 102697079

IUPAC1-(1,3-dimethylpyrazol-4-yl)-N-(2-methoxypropyl)ethane-1,2-diamine
SMILESCOC(C)CNC(CN)c1cn(C)nc1C
InChIInChI=1S/C11H22N4O/c1-8(16-4)6-13-11(5-12)10-7-15(3)14-9(10)2/h7-8,11,13H,5-6,12H2,1-4H3
InChIKeyKKDICIJLTJIJNP-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.35
Rot. Bonds6

About 1-(1,3-dimethylpyrazol-4-yl)-N-(2-methoxypropyl)ethane-1,2-diamine

1-(1,3-dimethylpyrazol-4-yl)-N-(2-methoxypropyl)ethane-1,2-diamine (PubChem CID 102697079) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)-N-(2-methoxypropyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)-N-(2-methoxypropyl)ethane-1,2-diamine
PubChem CID102697079
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)-N-(2-methoxypropyl)ethane-1,2-diamine
SMILESCOC(C)CNC(CN)c1cn(C)nc1C
InChIInChI=1S/C11H22N4O/c1-8(16-4)6-13-11(5-12)10-7-15(3)14-9(10)2/h7-8,11,13H,5-6,12H2,1-4H3
InChIKeyKKDICIJLTJIJNP-UHFFFAOYSA-N
XLogP0.35
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,2-difluoroethyl)-1-(1,3-dimethylpyrazol-4-yl)ethane-1,2-diamine
CID 83089687
N-(2-cyclopropylpropyl)-1-(1,3-dimethylpyrazol-4-yl)ethane-1,2-diamine
CID 113475087
2-(1,3-dimethylpyrazol-4-yl)-2-methoxyethanamine
CID 83095091
N-(2,2-difluoroethyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 112669590
(1R)-2-amino-1-(1,3-dimethylpyrazol-4-yl)ethanol
CID 83000950
1-(5-fluoro-2-methylphenyl)-N-(2-methoxypropyl)ethane-1,2-diamine
CID 114075612
1-(1,3-dimethylpyrazol-4-yl)-N-methoxyethanamine
CID 82706207
1-(1,3-dimethylpyrazol-4-yl)-N-hex-1-yn-3-ylethane-1,2-diamine
CID 106228337
1-(1,3-dimethylpyrazol-4-yl)-2-(propan-2-ylamino)ethanol
CID 83095157
(2R)-1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]propan-2-ol
CID 103906693
1-(1,3-dimethylpyrazol-4-yl)ethylhydrazine
CID 65196946
1-(1,3-dimethylpyrazol-4-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 104577605

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-N-(2-methoxypropyl)ethane-1,2-diamine?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-N-(2-methoxypropyl)ethane-1,2-diamine (CID 102697079) is 1-(1,3-dimethylpyrazol-4-yl)-N-(2-methoxypropyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)-N-(2-methoxypropyl)ethane-1,2-diamine?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)-N-(2-methoxypropyl)ethane-1,2-diamine is COC(C)CNC(CN)c1cn(C)nc1C.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)-N-(2-methoxypropyl)ethane-1,2-diamine?
The InChIKey is KKDICIJLTJIJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O/c1-8(16-4)6-13-11(5-12)10-7-15(3)14-9(10)2/h7-8,11,13H,5-6,12H2,1-4H3.
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)-N-(2-methoxypropyl)ethane-1,2-diamine?
1-(1,3-dimethylpyrazol-4-yl)-N-(2-methoxypropyl)ethane-1,2-diamine has a molecular weight of 226.32 g/mol, XLogP of 0.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)-N-(2-methoxypropyl)ethane-1,2-diamine is sourced from PubChem (CID 102697079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).