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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Related Compounds

4-amino-N-[3-(diethylamino)propyl]-N-ethyl-1-methylpyrazole-5-carboxamide
CID 102990922
4-amino-N-ethyl-1-methyl-N-[(2-methylphenyl)methyl]pyrazole-5-carboxamide
CID 65355774
4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-1-methylpyrazole-5-carboxamide
CID 65359823
4-amino-N-(2-cyanopropyl)-N-ethyl-1-methylpyrazole-5-carboxamide
CID 65359780
4-amino-N,N-bis(cyanomethyl)-1-methylpyrazole-5-carboxamide
CID 65356203
4-amino-N-butyl-N-(2-hydroxyethyl)-1-methylpyrazole-5-carboxamide
CID 65359533
ethyl 2-[ethyl-(3-ethyl-1-methylpyrazole-5-carbonyl)amino]acetate
CID 66122513
4-amino-N-[2-(dimethylamino)-2-oxoethyl]-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
CID 65359633
4-amino-N-butan-2-yl-N,1-dimethylpyrazole-5-carboxamide
CID 65355914
4-amino-N-ethyl-1-methyl-N-phenylpyrazole-5-carboxamide
CID 3112957
ethyl 2-[ethyl-(1-phenylpyrazole-4-carbonyl)amino]acetate
CID 78901864
ethyl 2-[(5-bromopyridine-3-carbonyl)-ethylamino]acetate
CID 54949215

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).