ethyl 2-[(4-amino-1-methylpyrazole-5-carbonyl)-ethylamino]acetate

C11H18N4O3 — CID 65359410

IUPACethyl 2-[(4-amino-1-methylpyrazole-5-carbonyl)-ethylamino]acetate
SMILESCCOC(=O)CN(CC)C(=O)c1c(N)cnn1C
InChIInChI=1S/C11H18N4O3/c1-4-15(7-9(16)18-5-2)11(17)10-8(12)6-13-14(10)3/h6H,4-5,7,12H2,1-3H3
InChIKeyDQNRTGNPBCLCPL-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.03
Rot. Bonds5

About ethyl 2-[(4-amino-1-methylpyrazole-5-carbonyl)-ethylamino]acetate

ethyl 2-[(4-amino-1-methylpyrazole-5-carbonyl)-ethylamino]acetate (PubChem CID 65359410) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is ethyl 2-[(4-amino-1-methylpyrazole-5-carbonyl)-ethylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-amino-1-methylpyrazole-5-carbonyl)-ethylamino]acetate
PubChem CID65359410
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Nameethyl 2-[(4-amino-1-methylpyrazole-5-carbonyl)-ethylamino]acetate
SMILESCCOC(=O)CN(CC)C(=O)c1c(N)cnn1C
InChIInChI=1S/C11H18N4O3/c1-4-15(7-9(16)18-5-2)11(17)10-8(12)6-13-14(10)3/h6H,4-5,7,12H2,1-3H3
InChIKeyDQNRTGNPBCLCPL-UHFFFAOYSA-N
XLogP0.03
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-amino-1-methylpyrazole-5-carbonyl)-ethylamino]acetate?
The IUPAC name of ethyl 2-[(4-amino-1-methylpyrazole-5-carbonyl)-ethylamino]acetate (CID 65359410) is ethyl 2-[(4-amino-1-methylpyrazole-5-carbonyl)-ethylamino]acetate.
What is the SMILES notation for ethyl 2-[(4-amino-1-methylpyrazole-5-carbonyl)-ethylamino]acetate?
The canonical SMILES for ethyl 2-[(4-amino-1-methylpyrazole-5-carbonyl)-ethylamino]acetate is CCOC(=O)CN(CC)C(=O)c1c(N)cnn1C.
What is the InChIKey of ethyl 2-[(4-amino-1-methylpyrazole-5-carbonyl)-ethylamino]acetate?
The InChIKey is DQNRTGNPBCLCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-4-15(7-9(16)18-5-2)11(17)10-8(12)6-13-14(10)3/h6H,4-5,7,12H2,1-3H3.
What are the key properties of ethyl 2-[(4-amino-1-methylpyrazole-5-carbonyl)-ethylamino]acetate?
ethyl 2-[(4-amino-1-methylpyrazole-5-carbonyl)-ethylamino]acetate has a molecular weight of 254.29 g/mol, XLogP of 0.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-amino-1-methylpyrazole-5-carbonyl)-ethylamino]acetate is sourced from PubChem (CID 65359410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).