ethyl 2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]acetate

C11H20N4O2 — CID 66028328

IUPACethyl 2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]acetate
SMILESCCOC(=O)CNc1c(N)c(C)nn1C(C)C
InChIInChI=1S/C11H20N4O2/c1-5-17-9(16)6-13-11-10(12)8(4)14-15(11)7(2)3/h7,13H,5-6,12H2,1-4H3
InChIKeyISHUANVPYZYEPY-UHFFFAOYSA-N
MW240.31 g/mol
LogP1.33
Rot. Bonds5

About ethyl 2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]acetate

ethyl 2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]acetate (PubChem CID 66028328) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is ethyl 2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]acetate
PubChem CID66028328
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Nameethyl 2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]acetate
SMILESCCOC(=O)CNc1c(N)c(C)nn1C(C)C
InChIInChI=1S/C11H20N4O2/c1-5-17-9(16)6-13-11-10(12)8(4)14-15(11)7(2)3/h7,13H,5-6,12H2,1-4H3
InChIKeyISHUANVPYZYEPY-UHFFFAOYSA-N
XLogP1.33
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]butanoate
CID 66025704
ethyl 2-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]acetate
CID 60812243
3-methyl-5-N-(2-methylprop-2-enyl)-1-propan-2-ylpyrazole-4,5-diamine
CID 114615272
5-N-(2-ethoxypropyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 113476976
1-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]propan-2-ol
CID 66029672
5-N-(cyclopentylmethyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 66027739
4-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]-1-methoxybutan-2-ol
CID 106243516
methyl 2-[(3-methyl-4-nitro-1-propan-2-ylpyrazol-5-yl)amino]acetate
CID 66030027
1-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]ethanol
CID 70039786
5-N-tert-butyl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 66028498
2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]propan-1-ol
CID 66029865
2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]-N-methylpropanamide
CID 66029301

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]acetate?
The IUPAC name of ethyl 2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]acetate (CID 66028328) is ethyl 2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]acetate?
The canonical SMILES for ethyl 2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]acetate is CCOC(=O)CNc1c(N)c(C)nn1C(C)C.
What is the InChIKey of ethyl 2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]acetate?
The InChIKey is ISHUANVPYZYEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-5-17-9(16)6-13-11-10(12)8(4)14-15(11)7(2)3/h7,13H,5-6,12H2,1-4H3.
What are the key properties of ethyl 2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]acetate?
ethyl 2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]acetate has a molecular weight of 240.31 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]acetate is sourced from PubChem (CID 66028328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).