methyl 2-[2-(dimethylamino)ethylamino]-2-(1,5-dimethylpyrazol-4-yl)acetate

C12H22N4O2 — CID 79584636

IUPACmethyl 2-[2-(dimethylamino)ethylamino]-2-(1,5-dimethylpyrazol-4-yl)acetate
SMILESCOC(=O)C(NCCN(C)C)c1cnn(C)c1C
InChIInChI=1S/C12H22N4O2/c1-9-10(8-14-16(9)4)11(12(17)18-5)13-6-7-15(2)3/h8,11,13H,6-7H2,1-5H3
InChIKeyVUJAZAPMJBRSSC-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.09
Rot. Bonds6

About methyl 2-[2-(dimethylamino)ethylamino]-2-(1,5-dimethylpyrazol-4-yl)acetate

methyl 2-[2-(dimethylamino)ethylamino]-2-(1,5-dimethylpyrazol-4-yl)acetate (PubChem CID 79584636) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is methyl 2-[2-(dimethylamino)ethylamino]-2-(1,5-dimethylpyrazol-4-yl)acetate.

Molecular Properties

Compound Namemethyl 2-[2-(dimethylamino)ethylamino]-2-(1,5-dimethylpyrazol-4-yl)acetate
PubChem CID79584636
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Namemethyl 2-[2-(dimethylamino)ethylamino]-2-(1,5-dimethylpyrazol-4-yl)acetate
SMILESCOC(=O)C(NCCN(C)C)c1cnn(C)c1C
InChIInChI=1S/C12H22N4O2/c1-9-10(8-14-16(9)4)11(12(17)18-5)13-6-7-15(2)3/h8,11,13H,6-7H2,1-5H3
InChIKeyVUJAZAPMJBRSSC-UHFFFAOYSA-N
XLogP0.09
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-(1,5-dimethylpyrazol-4-yl)-2-(prop-2-ynylamino)acetate
CID 79583513
2-[2-(diethylamino)ethylamino]-2-(1,5-dimethylpyrazol-4-yl)acetamide
CID 79584534
2-(1,5-dimethylpyrazol-4-yl)-2-(2-methoxyethylamino)acetic acid
CID 79583704
methyl 2-(cycloheptylamino)-2-(1,5-dimethylpyrazol-4-yl)acetate
CID 79584453
methyl 3-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroxypropanoate
CID 171865435
methyl 2-[4-(difluoromethyl)phenyl]-2-[2-(dimethylamino)ethylamino]acetate
CID 115524534
3-(dimethylamino)-3-(1,5-dimethylpyrazol-4-yl)propanoic acid
CID 79595015
methyl 3-(1,5-dimethylpyrazol-4-yl)-3-(propylamino)propanoate
CID 79595786
3-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]propanoic acid
CID 155858515
ethyl 3-(1,5-dimethylpyrazol-4-yl)-3-(ethylamino)propanoate
CID 79595467
ethyl (3R)-3-amino-3-(1,5-dimethylpyrazol-4-yl)propanoate
CID 79584174
ethyl 2-[2-(dimethylamino)ethylamino]-2-(2-fluorophenyl)acetate
CID 54895378

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(dimethylamino)ethylamino]-2-(1,5-dimethylpyrazol-4-yl)acetate?
The IUPAC name of methyl 2-[2-(dimethylamino)ethylamino]-2-(1,5-dimethylpyrazol-4-yl)acetate (CID 79584636) is methyl 2-[2-(dimethylamino)ethylamino]-2-(1,5-dimethylpyrazol-4-yl)acetate.
What is the SMILES notation for methyl 2-[2-(dimethylamino)ethylamino]-2-(1,5-dimethylpyrazol-4-yl)acetate?
The canonical SMILES for methyl 2-[2-(dimethylamino)ethylamino]-2-(1,5-dimethylpyrazol-4-yl)acetate is COC(=O)C(NCCN(C)C)c1cnn(C)c1C.
What is the InChIKey of methyl 2-[2-(dimethylamino)ethylamino]-2-(1,5-dimethylpyrazol-4-yl)acetate?
The InChIKey is VUJAZAPMJBRSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-9-10(8-14-16(9)4)11(12(17)18-5)13-6-7-15(2)3/h8,11,13H,6-7H2,1-5H3.
What are the key properties of methyl 2-[2-(dimethylamino)ethylamino]-2-(1,5-dimethylpyrazol-4-yl)acetate?
methyl 2-[2-(dimethylamino)ethylamino]-2-(1,5-dimethylpyrazol-4-yl)acetate has a molecular weight of 254.33 g/mol, XLogP of 0.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(dimethylamino)ethylamino]-2-(1,5-dimethylpyrazol-4-yl)acetate is sourced from PubChem (CID 79584636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).