methyl 2-[(4-amino-1,3-dimethylpyrazole-5-carbonyl)-methylamino]acetate

C10H16N4O3 — CID 66121833

IUPACmethyl 2-[(4-amino-1,3-dimethylpyrazole-5-carbonyl)-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)c1c(N)c(C)nn1C
InChIInChI=1S/C10H16N4O3/c1-6-8(11)9(14(3)12-6)10(16)13(2)5-7(15)17-4/h5,11H2,1-4H3
InChIKeyDQHTXLKFDDPRNU-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.44
Rot. Bonds3

About methyl 2-[(4-amino-1,3-dimethylpyrazole-5-carbonyl)-methylamino]acetate

methyl 2-[(4-amino-1,3-dimethylpyrazole-5-carbonyl)-methylamino]acetate (PubChem CID 66121833) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is methyl 2-[(4-amino-1,3-dimethylpyrazole-5-carbonyl)-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-amino-1,3-dimethylpyrazole-5-carbonyl)-methylamino]acetate
PubChem CID66121833
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Namemethyl 2-[(4-amino-1,3-dimethylpyrazole-5-carbonyl)-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)c1c(N)c(C)nn1C
InChIInChI=1S/C10H16N4O3/c1-6-8(11)9(14(3)12-6)10(16)13(2)5-7(15)17-4/h5,11H2,1-4H3
InChIKeyDQHTXLKFDDPRNU-UHFFFAOYSA-N
XLogP-0.44
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N,1,3-trimethylpyrazole-5-carboxamide
CID 66124185
methyl 2-[(4-amino-1,3-dimethylpyrazole-5-carbonyl)amino]acetate
CID 66120847
4-amino-N-(cyclohexylmethyl)-N,1,3-trimethylpyrazole-5-carboxamide
CID 66125536
4-amino-N,1,3-trimethyl-N-(2-methylbutyl)pyrazole-5-carboxamide
CID 66122221
4-amino-N-(1-methoxypropan-2-yl)-N,1,3-trimethylpyrazole-5-carboxamide
CID 66124373
4-amino-N,1,3-trimethyl-N-(2-pyridin-4-ylethyl)pyrazole-5-carboxamide
CID 66123007
4-amino-N-[(2,4-dimethylphenyl)methyl]-N,1,3-trimethylpyrazole-5-carboxamide
CID 66124561
4-amino-N-cyclohexyl-N-ethyl-1,3-dimethylpyrazole-5-carboxamide
CID 66119870
ethyl 2-[methyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetate
CID 55003284
4-amino-N,N-bis(2-cyanoethyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66125344
4-amino-N-(cyclohexylmethyl)-N-cyclopropyl-1,3-dimethylpyrazole-5-carboxamide
CID 66125149
[1-oxo-1-(propylamino)propan-2-yl] 4-amino-1,3-dimethylpyrazole-5-carboxylate
CID 66125389

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-amino-1,3-dimethylpyrazole-5-carbonyl)-methylamino]acetate?
The IUPAC name of methyl 2-[(4-amino-1,3-dimethylpyrazole-5-carbonyl)-methylamino]acetate (CID 66121833) is methyl 2-[(4-amino-1,3-dimethylpyrazole-5-carbonyl)-methylamino]acetate.
What is the SMILES notation for methyl 2-[(4-amino-1,3-dimethylpyrazole-5-carbonyl)-methylamino]acetate?
The canonical SMILES for methyl 2-[(4-amino-1,3-dimethylpyrazole-5-carbonyl)-methylamino]acetate is COC(=O)CN(C)C(=O)c1c(N)c(C)nn1C.
What is the InChIKey of methyl 2-[(4-amino-1,3-dimethylpyrazole-5-carbonyl)-methylamino]acetate?
The InChIKey is DQHTXLKFDDPRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-6-8(11)9(14(3)12-6)10(16)13(2)5-7(15)17-4/h5,11H2,1-4H3.
What are the key properties of methyl 2-[(4-amino-1,3-dimethylpyrazole-5-carbonyl)-methylamino]acetate?
methyl 2-[(4-amino-1,3-dimethylpyrazole-5-carbonyl)-methylamino]acetate has a molecular weight of 240.26 g/mol, XLogP of -0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-amino-1,3-dimethylpyrazole-5-carbonyl)-methylamino]acetate is sourced from PubChem (CID 66121833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).