ethyl 3-[[2-(dimethylamino)acetyl]amino]-5-methyl-1H-pyrazole-4-carboxylate

C11H18N4O3 — CID 110479738

IUPACethyl 3-[[2-(dimethylamino)acetyl]amino]-5-methyl-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1c(NC(=O)CN(C)C)n[nH]c1C
InChIInChI=1S/C11H18N4O3/c1-5-18-11(17)9-7(2)13-14-10(9)12-8(16)6-15(3)4/h5-6H2,1-4H3,(H2,12,13,14,16)
InChIKeyWRQDBCYRILEQLM-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.39
Rot. Bonds5

About ethyl 3-[[2-(dimethylamino)acetyl]amino]-5-methyl-1H-pyrazole-4-carboxylate

ethyl 3-[[2-(dimethylamino)acetyl]amino]-5-methyl-1H-pyrazole-4-carboxylate (PubChem CID 110479738) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is ethyl 3-[[2-(dimethylamino)acetyl]amino]-5-methyl-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-[[2-(dimethylamino)acetyl]amino]-5-methyl-1H-pyrazole-4-carboxylate
PubChem CID110479738
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Nameethyl 3-[[2-(dimethylamino)acetyl]amino]-5-methyl-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1c(NC(=O)CN(C)C)n[nH]c1C
InChIInChI=1S/C11H18N4O3/c1-5-18-11(17)9-7(2)13-14-10(9)12-8(16)6-15(3)4/h5-6H2,1-4H3,(H2,12,13,14,16)
InChIKeyWRQDBCYRILEQLM-UHFFFAOYSA-N
XLogP0.39
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-(dimethylamino)acetyl]amino]-5-methyl-1H-pyrazole-4-carboxylic acid
CID 110479872
ethyl 5-methyl-3-(3-methylbutanoylamino)-1H-pyrazole-4-carboxylate
CID 110460684
ethyl 5-methyl-3-[(2,2,2-trifluoroacetyl)amino]-1H-pyrazole-4-carboxylate
CID 110461283
5-methyl-3-(propanoylamino)-1H-pyrazole-4-carboxylic acid
CID 110477564
ethyl 5-methyl-3-(pyrrolidine-2-carbonylamino)-1H-pyrazole-4-carboxylate
CID 110461403
ethyl 5-methyl-3-[(1-methylpyrrole-2-carbonyl)amino]-1H-pyrazole-4-carboxylate
CID 110467081
ethyl 3-(benzylamino)-5-methyl-1H-pyrazole-4-carboxylate
CID 852511
2-[acetyl(methyl)amino]-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide
CID 115610237
ethyl 3-(3-chloroanilino)-5-methyl-1H-pyrazole-4-carboxylate
CID 14500687
4-ethoxycarbonyl-5-methyl-1H-pyrazole-3-sulfinic acid
CID 165455578
ethyl 5-amino-3-[(2,2,2-trifluoroacetyl)amino]-1H-pyrazole-4-carboxylate
CID 2315464
ethyl 5-amino-3-(ethylamino)-1H-pyrazole-4-carboxylate
CID 102534352

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[2-(dimethylamino)acetyl]amino]-5-methyl-1H-pyrazole-4-carboxylate?
The IUPAC name of ethyl 3-[[2-(dimethylamino)acetyl]amino]-5-methyl-1H-pyrazole-4-carboxylate (CID 110479738) is ethyl 3-[[2-(dimethylamino)acetyl]amino]-5-methyl-1H-pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 3-[[2-(dimethylamino)acetyl]amino]-5-methyl-1H-pyrazole-4-carboxylate?
The canonical SMILES for ethyl 3-[[2-(dimethylamino)acetyl]amino]-5-methyl-1H-pyrazole-4-carboxylate is CCOC(=O)c1c(NC(=O)CN(C)C)n[nH]c1C.
What is the InChIKey of ethyl 3-[[2-(dimethylamino)acetyl]amino]-5-methyl-1H-pyrazole-4-carboxylate?
The InChIKey is WRQDBCYRILEQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-5-18-11(17)9-7(2)13-14-10(9)12-8(16)6-15(3)4/h5-6H2,1-4H3,(H2,12,13,14,16).
What are the key properties of ethyl 3-[[2-(dimethylamino)acetyl]amino]-5-methyl-1H-pyrazole-4-carboxylate?
ethyl 3-[[2-(dimethylamino)acetyl]amino]-5-methyl-1H-pyrazole-4-carboxylate has a molecular weight of 254.29 g/mol, XLogP of 0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[2-(dimethylamino)acetyl]amino]-5-methyl-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 110479738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).