methyl 2-(4-amino-3,5-diethylpyrazol-1-yl)acetate

C10H17N3O2 — CID 82703075

IUPACmethyl 2-(4-amino-3,5-diethylpyrazol-1-yl)acetate
SMILESCCc1nn(CC(=O)OC)c(CC)c1N
InChIInChI=1S/C10H17N3O2/c1-4-7-10(11)8(5-2)13(12-7)6-9(14)15-3/h4-6,11H2,1-3H3
InChIKeyGJBZMKVERLDFJI-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.76
Rot. Bonds4

About methyl 2-(4-amino-3,5-diethylpyrazol-1-yl)acetate

methyl 2-(4-amino-3,5-diethylpyrazol-1-yl)acetate (PubChem CID 82703075) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is methyl 2-(4-amino-3,5-diethylpyrazol-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-amino-3,5-diethylpyrazol-1-yl)acetate
PubChem CID82703075
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Namemethyl 2-(4-amino-3,5-diethylpyrazol-1-yl)acetate
SMILESCCc1nn(CC(=O)OC)c(CC)c1N
InChIInChI=1S/C10H17N3O2/c1-4-7-10(11)8(5-2)13(12-7)6-9(14)15-3/h4-6,11H2,1-3H3
InChIKeyGJBZMKVERLDFJI-UHFFFAOYSA-N
XLogP0.76
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-amino-3,5-diethylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 82702213
2-(4-amino-3,5-diethylpyrazol-1-yl)-N-(3-methylbutyl)acetamide
CID 82702281
methyl 4-[(4-amino-3,5-diethylpyrazol-1-yl)methyl]benzoate
CID 82692563
ethyl 6-(4-amino-3,5-diethylpyrazol-1-yl)hexanoate
CID 82702685
3,5-diethyl-1-[2-(2-methoxyethoxy)ethyl]pyrazol-4-amine
CID 82702606
3-(4-amino-3,5-diethylpyrazol-1-yl)-2-methylpropanamide
CID 82702680
3,5-diethyl-1-(2-methylpropyl)pyrazol-4-amine
CID 82703146
3,5-diethyl-1-(2-ethylsulfonylethyl)pyrazol-4-amine
CID 82702839
3,5-diethyl-1-(propoxymethyl)pyrazol-4-amine
CID 165471948
methyl 2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]acetate
CID 66016354
3,5-diethyl-1-(2-propoxyethyl)pyrazol-4-amine
CID 106452722
3,5-diethyl-1-(3-ethylsulfonylpropyl)pyrazol-4-amine
CID 82702521

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-amino-3,5-diethylpyrazol-1-yl)acetate?
The IUPAC name of methyl 2-(4-amino-3,5-diethylpyrazol-1-yl)acetate (CID 82703075) is methyl 2-(4-amino-3,5-diethylpyrazol-1-yl)acetate.
What is the SMILES notation for methyl 2-(4-amino-3,5-diethylpyrazol-1-yl)acetate?
The canonical SMILES for methyl 2-(4-amino-3,5-diethylpyrazol-1-yl)acetate is CCc1nn(CC(=O)OC)c(CC)c1N.
What is the InChIKey of methyl 2-(4-amino-3,5-diethylpyrazol-1-yl)acetate?
The InChIKey is GJBZMKVERLDFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-4-7-10(11)8(5-2)13(12-7)6-9(14)15-3/h4-6,11H2,1-3H3.
What are the key properties of methyl 2-(4-amino-3,5-diethylpyrazol-1-yl)acetate?
methyl 2-(4-amino-3,5-diethylpyrazol-1-yl)acetate has a molecular weight of 211.26 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-amino-3,5-diethylpyrazol-1-yl)acetate is sourced from PubChem (CID 82703075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).