5-[2-[di(propan-2-yl)amino]ethoxy]-1-ethyl-3-methylpyrazol-4-amine

C14H28N4O — CID 115505356

IUPAC5-[2-[di(propan-2-yl)amino]ethoxy]-1-ethyl-3-methylpyrazol-4-amine
SMILESCCn1nc(C)c(N)c1OCCN(C(C)C)C(C)C
InChIInChI=1S/C14H28N4O/c1-7-18-14(13(15)12(6)16-18)19-9-8-17(10(2)3)11(4)5/h10-11H,7-9,15H2,1-6H3
InChIKeyKQCNYIMDHZBRMB-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.29
Rot. Bonds7

About 5-[2-[di(propan-2-yl)amino]ethoxy]-1-ethyl-3-methylpyrazol-4-amine

5-[2-[di(propan-2-yl)amino]ethoxy]-1-ethyl-3-methylpyrazol-4-amine (PubChem CID 115505356) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is 5-[2-[di(propan-2-yl)amino]ethoxy]-1-ethyl-3-methylpyrazol-4-amine.

Molecular Properties

Compound Name5-[2-[di(propan-2-yl)amino]ethoxy]-1-ethyl-3-methylpyrazol-4-amine
PubChem CID115505356
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC Name5-[2-[di(propan-2-yl)amino]ethoxy]-1-ethyl-3-methylpyrazol-4-amine
SMILESCCn1nc(C)c(N)c1OCCN(C(C)C)C(C)C
InChIInChI=1S/C14H28N4O/c1-7-18-14(13(15)12(6)16-18)19-9-8-17(10(2)3)11(4)5/h10-11H,7-9,15H2,1-6H3
InChIKeyKQCNYIMDHZBRMB-UHFFFAOYSA-N
XLogP2.29
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-5-(3-methoxypropoxy)-3-methylpyrazol-4-amine
CID 66013084
1-ethyl-3-methyl-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrazol-4-amine
CID 112587047
1-ethyl-5-[2-(2-methoxyethoxy)ethoxy]-3-methylpyrazol-4-amine
CID 104559959
5-(2-butoxyethoxy)-1-ethyl-3-methylpyrazol-4-amine
CID 66013671
1-ethyl-3-methyl-5-pentan-2-yloxypyrazol-4-amine
CID 102980348
5-[2-[di(propan-2-yl)amino]ethoxy]-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
CID 115505568
1-ethyl-5-[(3-methoxyphenyl)methoxy]-3-methylpyrazol-4-amine
CID 66012494
5-[3-(dimethylamino)propoxy]-3-methyl-1-propan-2-ylpyrazol-4-amine
CID 66024839
3-methyl-5-(2-piperidin-1-ylethoxy)-1-propylpyrazol-4-amine
CID 66029042
3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)-propan-2-ylamino]propanenitrile
CID 66011475
1-ethyl-5-N,3-dimethyl-5-N-(3-methylbutan-2-yl)pyrazole-4,5-diamine
CID 66013014
5-N-(1-cyclopropylethyl)-1-ethyl-5-N-(2-methoxyethyl)-3-methylpyrazole-4,5-diamine
CID 66012447

Frequently Asked Questions

What is the IUPAC name of 5-[2-[di(propan-2-yl)amino]ethoxy]-1-ethyl-3-methylpyrazol-4-amine?
The IUPAC name of 5-[2-[di(propan-2-yl)amino]ethoxy]-1-ethyl-3-methylpyrazol-4-amine (CID 115505356) is 5-[2-[di(propan-2-yl)amino]ethoxy]-1-ethyl-3-methylpyrazol-4-amine.
What is the SMILES notation for 5-[2-[di(propan-2-yl)amino]ethoxy]-1-ethyl-3-methylpyrazol-4-amine?
The canonical SMILES for 5-[2-[di(propan-2-yl)amino]ethoxy]-1-ethyl-3-methylpyrazol-4-amine is CCn1nc(C)c(N)c1OCCN(C(C)C)C(C)C.
What is the InChIKey of 5-[2-[di(propan-2-yl)amino]ethoxy]-1-ethyl-3-methylpyrazol-4-amine?
The InChIKey is KQCNYIMDHZBRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O/c1-7-18-14(13(15)12(6)16-18)19-9-8-17(10(2)3)11(4)5/h10-11H,7-9,15H2,1-6H3.
What are the key properties of 5-[2-[di(propan-2-yl)amino]ethoxy]-1-ethyl-3-methylpyrazol-4-amine?
5-[2-[di(propan-2-yl)amino]ethoxy]-1-ethyl-3-methylpyrazol-4-amine has a molecular weight of 268.40 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[di(propan-2-yl)amino]ethoxy]-1-ethyl-3-methylpyrazol-4-amine is sourced from PubChem (CID 115505356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).