ethyl 2-[propan-2-yl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetate

C14H23N3O3 — CID 61021700

IUPACethyl 2-[propan-2-yl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetate
SMILESCCOC(=O)CN(C(=O)c1c(C)nn(C)c1C)C(C)C
InChIInChI=1S/C14H23N3O3/c1-7-20-12(18)8-17(9(2)3)14(19)13-10(4)15-16(6)11(13)5/h9H,7-8H2,1-6H3
InChIKeyGTVWAPJPICOOBE-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.45
Rot. Bonds5

About ethyl 2-[propan-2-yl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetate

ethyl 2-[propan-2-yl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetate (PubChem CID 61021700) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is ethyl 2-[propan-2-yl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[propan-2-yl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetate
PubChem CID61021700
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Nameethyl 2-[propan-2-yl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetate
SMILESCCOC(=O)CN(C(=O)c1c(C)nn(C)c1C)C(C)C
InChIInChI=1S/C14H23N3O3/c1-7-20-12(18)8-17(9(2)3)14(19)13-10(4)15-16(6)11(13)5/h9H,7-8H2,1-6H3
InChIKeyGTVWAPJPICOOBE-UHFFFAOYSA-N
XLogP1.45
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[methyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetate
CID 55003284
ethyl (3S)-3-[methyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]butanoate
CID 124872087
3-[propan-2-yl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoic acid
CID 54926881
N-(2-cyanoethyl)-1,3,5-trimethyl-N-propan-2-ylpyrazole-4-carboxamide
CID 54996295
N-(3-amino-3-hydroxyiminopropyl)-1,3,5-trimethyl-N-propan-2-ylpyrazole-4-carboxamide
CID 76911540
N-(4-aminobutan-2-yl)-N,1,3,5-tetramethylpyrazole-4-carboxamide
CID 63225554
1,3,5-trimethyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyrazole-4-carboxamide
CID 79701973
ethyl 2-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)-propan-2-ylamino]acetate
CID 79208593
ethyl 2-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-propan-2-ylamino]acetate
CID 105358639
ethyl 2-[(3,5-dibromobenzoyl)-propan-2-ylamino]acetate
CID 103908490
ethyl 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-propan-2-ylamino]acetate
CID 61022191
ethyl 2-[3-imidazol-1-ylpropanoyl(propan-2-yl)amino]acetate
CID 54896305

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[propan-2-yl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[propan-2-yl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetate (CID 61021700) is ethyl 2-[propan-2-yl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[propan-2-yl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[propan-2-yl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetate is CCOC(=O)CN(C(=O)c1c(C)nn(C)c1C)C(C)C.
What is the InChIKey of ethyl 2-[propan-2-yl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetate?
The InChIKey is GTVWAPJPICOOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-7-20-12(18)8-17(9(2)3)14(19)13-10(4)15-16(6)11(13)5/h9H,7-8H2,1-6H3.
What are the key properties of ethyl 2-[propan-2-yl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetate?
ethyl 2-[propan-2-yl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetate has a molecular weight of 281.36 g/mol, XLogP of 1.45, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[propan-2-yl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetate is sourced from PubChem (CID 61021700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).