methyl 2-(5-amino-3-tert-butylpyrazol-1-yl)acetate

C10H17N3O2 — CID 121214084

IUPACmethyl 2-(5-amino-3-tert-butylpyrazol-1-yl)acetate
SMILESCOC(=O)Cn1nc(C(C)(C)C)cc1N
InChIInChI=1S/C10H17N3O2/c1-10(2,3)7-5-8(11)13(12-7)6-9(14)15-4/h5H,6,11H2,1-4H3
InChIKeyGDKMEZKFBGZNKB-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.94
Rot. Bonds2

About methyl 2-(5-amino-3-tert-butylpyrazol-1-yl)acetate

methyl 2-(5-amino-3-tert-butylpyrazol-1-yl)acetate (PubChem CID 121214084) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is methyl 2-(5-amino-3-tert-butylpyrazol-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-amino-3-tert-butylpyrazol-1-yl)acetate
PubChem CID121214084
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Namemethyl 2-(5-amino-3-tert-butylpyrazol-1-yl)acetate
SMILESCOC(=O)Cn1nc(C(C)(C)C)cc1N
InChIInChI=1S/C10H17N3O2/c1-10(2,3)7-5-8(11)13(12-7)6-9(14)15-4/h5H,6,11H2,1-4H3
InChIKeyGDKMEZKFBGZNKB-UHFFFAOYSA-N
XLogP0.94
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-amino-3-tert-butylpyrazol-1-yl)acetate?
The IUPAC name of methyl 2-(5-amino-3-tert-butylpyrazol-1-yl)acetate (CID 121214084) is methyl 2-(5-amino-3-tert-butylpyrazol-1-yl)acetate.
What is the SMILES notation for methyl 2-(5-amino-3-tert-butylpyrazol-1-yl)acetate?
The canonical SMILES for methyl 2-(5-amino-3-tert-butylpyrazol-1-yl)acetate is COC(=O)Cn1nc(C(C)(C)C)cc1N.
What is the InChIKey of methyl 2-(5-amino-3-tert-butylpyrazol-1-yl)acetate?
The InChIKey is GDKMEZKFBGZNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-10(2,3)7-5-8(11)13(12-7)6-9(14)15-4/h5H,6,11H2,1-4H3.
What are the key properties of methyl 2-(5-amino-3-tert-butylpyrazol-1-yl)acetate?
methyl 2-(5-amino-3-tert-butylpyrazol-1-yl)acetate has a molecular weight of 211.26 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-amino-3-tert-butylpyrazol-1-yl)acetate is sourced from PubChem (CID 121214084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).