ethyl 2-[(1-methyl-3-propylpyrazole-4-carbonyl)amino]acetate

C12H19N3O3 — CID 2808293

IUPACethyl 2-[(1-methyl-3-propylpyrazole-4-carbonyl)amino]acetate
SMILESCCCc1nn(C)cc1C(=O)NCC(=O)OCC
InChIInChI=1S/C12H19N3O3/c1-4-6-10-9(8-15(3)14-10)12(17)13-7-11(16)18-5-2/h8H,4-7H2,1-3H3,(H,13,17)
InChIKeyHRVKZGGWVLFALD-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.67
Rot. Bonds6

About ethyl 2-[(1-methyl-3-propylpyrazole-4-carbonyl)amino]acetate

ethyl 2-[(1-methyl-3-propylpyrazole-4-carbonyl)amino]acetate (PubChem CID 2808293) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is ethyl 2-[(1-methyl-3-propylpyrazole-4-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(1-methyl-3-propylpyrazole-4-carbonyl)amino]acetate
PubChem CID2808293
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Nameethyl 2-[(1-methyl-3-propylpyrazole-4-carbonyl)amino]acetate
SMILESCCCc1nn(C)cc1C(=O)NCC(=O)OCC
InChIInChI=1S/C12H19N3O3/c1-4-6-10-9(8-15(3)14-10)12(17)13-7-11(16)18-5-2/h8H,4-7H2,1-3H3,(H,13,17)
InChIKeyHRVKZGGWVLFALD-UHFFFAOYSA-N
XLogP0.67
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1-methyl-3-propylpyrazole-4-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[(1-methyl-3-propylpyrazole-4-carbonyl)amino]acetate (CID 2808293) is ethyl 2-[(1-methyl-3-propylpyrazole-4-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(1-methyl-3-propylpyrazole-4-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[(1-methyl-3-propylpyrazole-4-carbonyl)amino]acetate is CCCc1nn(C)cc1C(=O)NCC(=O)OCC.
What is the InChIKey of ethyl 2-[(1-methyl-3-propylpyrazole-4-carbonyl)amino]acetate?
The InChIKey is HRVKZGGWVLFALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-4-6-10-9(8-15(3)14-10)12(17)13-7-11(16)18-5-2/h8H,4-7H2,1-3H3,(H,13,17).
What are the key properties of ethyl 2-[(1-methyl-3-propylpyrazole-4-carbonyl)amino]acetate?
ethyl 2-[(1-methyl-3-propylpyrazole-4-carbonyl)amino]acetate has a molecular weight of 253.30 g/mol, XLogP of 0.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1-methyl-3-propylpyrazole-4-carbonyl)amino]acetate is sourced from PubChem (CID 2808293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).