methyl 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(propan-2-ylamino)acetate

C12H21N3O2 — CID 112669747

IUPACmethyl 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(propan-2-ylamino)acetate
SMILESCCc1nn(C)cc1C(NC(C)C)C(=O)OC
InChIInChI=1S/C12H21N3O2/c1-6-10-9(7-15(4)14-10)11(12(16)17-5)13-8(2)3/h7-8,11,13H,6H2,1-5H3
InChIKeyYHSHRNHTQQUTMR-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.19
Rot. Bonds5

About methyl 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(propan-2-ylamino)acetate

methyl 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(propan-2-ylamino)acetate (PubChem CID 112669747) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is methyl 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(propan-2-ylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(propan-2-ylamino)acetate
PubChem CID112669747
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Namemethyl 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(propan-2-ylamino)acetate
SMILESCCc1nn(C)cc1C(NC(C)C)C(=O)OC
InChIInChI=1S/C12H21N3O2/c1-6-10-9(7-15(4)14-10)11(12(16)17-5)13-8(2)3/h7-8,11,13H,6H2,1-5H3
InChIKeyYHSHRNHTQQUTMR-UHFFFAOYSA-N
XLogP1.19
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(3-ethyl-1-methylpyrazol-4-yl)-3-hydroxy-2-methylpropanoate
CID 112671090
methyl 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-methylanilino)acetate
CID 115990144
methyl (3R)-3-amino-3-(3-ethyl-1-methylpyrazol-4-yl)propanoate
CID 103955778
methyl (2R)-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]propanoate
CID 124679700
[1-(3-ethyl-1-methylpyrazol-4-yl)-2-methylprop-2-enyl]hydrazine
CID 102813156
methyl 3-(3-ethyl-1-methylpyrazol-4-yl)-3-(methylamino)propanoate
CID 112671468
(3S)-3-amino-3-(3-ethyl-1-methylpyrazol-4-yl)propanoic acid
CID 96758684
2-amino-1-(3-ethyl-1-methylpyrazol-4-yl)ethanol
CID 130166119
2-(3-ethyl-1-methylpyrazol-4-yl)-2-(3-fluoroanilino)acetamide
CID 115990096
4-(3-ethyl-1-methylpyrazol-4-yl)-4-hydroxy-2,3-dimethylbutanoic acid
CID 112670850
2-chloro-N-ethyl-2-(3-ethyl-1-methylpyrazol-4-yl)acetamide
CID 112671060
methyl 2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-3-hydroxypropanoate
CID 104964317

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(propan-2-ylamino)acetate?
The IUPAC name of methyl 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(propan-2-ylamino)acetate (CID 112669747) is methyl 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(propan-2-ylamino)acetate.
What is the SMILES notation for methyl 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(propan-2-ylamino)acetate?
The canonical SMILES for methyl 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(propan-2-ylamino)acetate is CCc1nn(C)cc1C(NC(C)C)C(=O)OC.
What is the InChIKey of methyl 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(propan-2-ylamino)acetate?
The InChIKey is YHSHRNHTQQUTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-6-10-9(7-15(4)14-10)11(12(16)17-5)13-8(2)3/h7-8,11,13H,6H2,1-5H3.
What are the key properties of methyl 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(propan-2-ylamino)acetate?
methyl 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(propan-2-ylamino)acetate has a molecular weight of 239.32 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(propan-2-ylamino)acetate is sourced from PubChem (CID 112669747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).