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

C9H16N4O2 — CID 66016354

IUPACmethyl 2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]acetate
SMILESCCc1nn(C)c(NCC(=O)OC)c1N
InChIInChI=1S/C9H16N4O2/c1-4-6-8(10)9(13(2)12-6)11-5-7(14)15-3/h11H,4-5,10H2,1-3H3
InChIKeyDTGDFRRZUZBTJR-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.15
Rot. Bonds4

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

methyl 2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]acetate (PubChem CID 66016354) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is methyl 2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]acetate
PubChem CID66016354
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Namemethyl 2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]acetate
SMILESCCc1nn(C)c(NCC(=O)OC)c1N
InChIInChI=1S/C9H16N4O2/c1-4-6-8(10)9(13(2)12-6)11-5-7(14)15-3/h11H,4-5,10H2,1-3H3
InChIKeyDTGDFRRZUZBTJR-UHFFFAOYSA-N
XLogP0.15
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]acetate?
The IUPAC name of methyl 2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]acetate (CID 66016354) is methyl 2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]acetate.
What is the SMILES notation for methyl 2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]acetate?
The canonical SMILES for methyl 2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]acetate is CCc1nn(C)c(NCC(=O)OC)c1N.
What is the InChIKey of methyl 2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]acetate?
The InChIKey is DTGDFRRZUZBTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-4-6-8(10)9(13(2)12-6)11-5-7(14)15-3/h11H,4-5,10H2,1-3H3.
What are the key properties of methyl 2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]acetate?
methyl 2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]acetate has a molecular weight of 212.25 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]acetate is sourced from PubChem (CID 66016354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).