ethyl 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-propan-2-ylamino]acetate

C14H23N3O3 — CID 61021953

IUPACethyl 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(C(=O)Cc1c(C)n[nH]c1C)C(C)C
InChIInChI=1S/C14H23N3O3/c1-6-20-14(19)8-17(9(2)3)13(18)7-12-10(4)15-16-11(12)5/h9H,6-8H2,1-5H3,(H,15,16)
InChIKeyNOVNPSJBPSHMAD-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.37
Rot. Bonds6

About ethyl 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-propan-2-ylamino]acetate

ethyl 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-propan-2-ylamino]acetate (PubChem CID 61021953) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is ethyl 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-propan-2-ylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-propan-2-ylamino]acetate
PubChem CID61021953
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Nameethyl 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(C(=O)Cc1c(C)n[nH]c1C)C(C)C
InChIInChI=1S/C14H23N3O3/c1-6-20-14(19)8-17(9(2)3)13(18)7-12-10(4)15-16-11(12)5/h9H,6-8H2,1-5H3,(H,15,16)
InChIKeyNOVNPSJBPSHMAD-UHFFFAOYSA-N
XLogP1.37
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-propan-2-ylamino]acetate?
The IUPAC name of ethyl 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-propan-2-ylamino]acetate (CID 61021953) is ethyl 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-propan-2-ylamino]acetate.
What is the SMILES notation for ethyl 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-propan-2-ylamino]acetate?
The canonical SMILES for ethyl 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-propan-2-ylamino]acetate is CCOC(=O)CN(C(=O)Cc1c(C)n[nH]c1C)C(C)C.
What is the InChIKey of ethyl 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-propan-2-ylamino]acetate?
The InChIKey is NOVNPSJBPSHMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-6-20-14(19)8-17(9(2)3)13(18)7-12-10(4)15-16-11(12)5/h9H,6-8H2,1-5H3,(H,15,16).
What are the key properties of ethyl 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-propan-2-ylamino]acetate?
ethyl 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-propan-2-ylamino]acetate has a molecular weight of 281.36 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-propan-2-ylamino]acetate is sourced from PubChem (CID 61021953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).