methyl 2-[(1,3,5-trimethylpyrazol-4-yl)amino]acetate

C9H15N3O2 — CID 82539691

IUPACmethyl 2-[(1,3,5-trimethylpyrazol-4-yl)amino]acetate
SMILESCOC(=O)CNc1c(C)nn(C)c1C
InChIInChI=1S/C9H15N3O2/c1-6-9(7(2)12(3)11-6)10-5-8(13)14-4/h10H,5H2,1-4H3
InChIKeyZRYPMLDRAUNGOO-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.62
Rot. Bonds3

About methyl 2-[(1,3,5-trimethylpyrazol-4-yl)amino]acetate

methyl 2-[(1,3,5-trimethylpyrazol-4-yl)amino]acetate (PubChem CID 82539691) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is methyl 2-[(1,3,5-trimethylpyrazol-4-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(1,3,5-trimethylpyrazol-4-yl)amino]acetate
PubChem CID82539691
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Namemethyl 2-[(1,3,5-trimethylpyrazol-4-yl)amino]acetate
SMILESCOC(=O)CNc1c(C)nn(C)c1C
InChIInChI=1S/C9H15N3O2/c1-6-9(7(2)12(3)11-6)10-5-8(13)14-4/h10H,5H2,1-4H3
InChIKeyZRYPMLDRAUNGOO-UHFFFAOYSA-N
XLogP0.62
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 60717287
methyl 4-[[(1,3,5-trimethylpyrazol-4-yl)amino]methyl]benzoate
CID 28664573
methyl 2-[(4-amino-1,3-dimethylpyrazole-5-carbonyl)amino]acetate
CID 66120847
2-(2-methoxyethoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 103606715
2-methylsulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 47006977
2-(3,5-dimethylanilino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 86908709
2-(prop-2-ynylamino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 78912800
ethyl 4-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]butanoate
CID 60671988
ethyl 2-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]acetate
CID 60812243
2-[4-[[(1,3,5-trimethylpyrazol-4-yl)amino]methyl]phenoxy]acetamide
CID 28664404
methyl N-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamate
CID 110731133
(2R)-2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]propanoic acid
CID 83193828

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1,3,5-trimethylpyrazol-4-yl)amino]acetate?
The IUPAC name of methyl 2-[(1,3,5-trimethylpyrazol-4-yl)amino]acetate (CID 82539691) is methyl 2-[(1,3,5-trimethylpyrazol-4-yl)amino]acetate.
What is the SMILES notation for methyl 2-[(1,3,5-trimethylpyrazol-4-yl)amino]acetate?
The canonical SMILES for methyl 2-[(1,3,5-trimethylpyrazol-4-yl)amino]acetate is COC(=O)CNc1c(C)nn(C)c1C.
What is the InChIKey of methyl 2-[(1,3,5-trimethylpyrazol-4-yl)amino]acetate?
The InChIKey is ZRYPMLDRAUNGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-6-9(7(2)12(3)11-6)10-5-8(13)14-4/h10H,5H2,1-4H3.
What are the key properties of methyl 2-[(1,3,5-trimethylpyrazol-4-yl)amino]acetate?
methyl 2-[(1,3,5-trimethylpyrazol-4-yl)amino]acetate has a molecular weight of 197.24 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1,3,5-trimethylpyrazol-4-yl)amino]acetate is sourced from PubChem (CID 82539691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).