methyl 2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-2-(propylamino)acetate

C12H21N3O3 — CID 113463447

IUPACmethyl 2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-2-(propylamino)acetate
SMILESCCCNC(C(=O)OC)c1c(C)nn(C)c1OC
InChIInChI=1S/C12H21N3O3/c1-6-7-13-10(12(16)18-5)9-8(2)14-15(3)11(9)17-4/h10,13H,6-7H2,1-5H3
InChIKeyNAUJUUOWKRJNAM-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.95
Rot. Bonds6

About methyl 2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-2-(propylamino)acetate

methyl 2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-2-(propylamino)acetate (PubChem CID 113463447) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is methyl 2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-2-(propylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-2-(propylamino)acetate
PubChem CID113463447
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Namemethyl 2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-2-(propylamino)acetate
SMILESCCCNC(C(=O)OC)c1c(C)nn(C)c1OC
InChIInChI=1S/C12H21N3O3/c1-6-7-13-10(12(16)18-5)9-8(2)14-15(3)11(9)17-4/h10,13H,6-7H2,1-5H3
InChIKeyNAUJUUOWKRJNAM-UHFFFAOYSA-N
XLogP0.95
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-2-(propylamino)acetate?
The IUPAC name of methyl 2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-2-(propylamino)acetate (CID 113463447) is methyl 2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-2-(propylamino)acetate.
What is the SMILES notation for methyl 2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-2-(propylamino)acetate?
The canonical SMILES for methyl 2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-2-(propylamino)acetate is CCCNC(C(=O)OC)c1c(C)nn(C)c1OC.
What is the InChIKey of methyl 2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-2-(propylamino)acetate?
The InChIKey is NAUJUUOWKRJNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-6-7-13-10(12(16)18-5)9-8(2)14-15(3)11(9)17-4/h10,13H,6-7H2,1-5H3.
What are the key properties of methyl 2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-2-(propylamino)acetate?
methyl 2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-2-(propylamino)acetate has a molecular weight of 255.32 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-2-(propylamino)acetate is sourced from PubChem (CID 113463447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).