ethyl 2-[(5-methyl-1H-pyrazole-3-carbonyl)-propylamino]acetate

C12H19N3O3 — CID 62615904

IUPACethyl 2-[(5-methyl-1H-pyrazole-3-carbonyl)-propylamino]acetate
SMILESCCCN(CC(=O)OCC)C(=O)c1cc(C)[nH]n1
InChIInChI=1S/C12H19N3O3/c1-4-6-15(8-11(16)18-5-2)12(17)10-7-9(3)13-14-10/h7H,4-6,8H2,1-3H3,(H,13,14)
InChIKeyNWFWUWQQWPTDCF-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.13
Rot. Bonds6

About ethyl 2-[(5-methyl-1H-pyrazole-3-carbonyl)-propylamino]acetate

ethyl 2-[(5-methyl-1H-pyrazole-3-carbonyl)-propylamino]acetate (PubChem CID 62615904) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is ethyl 2-[(5-methyl-1H-pyrazole-3-carbonyl)-propylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(5-methyl-1H-pyrazole-3-carbonyl)-propylamino]acetate
PubChem CID62615904
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Nameethyl 2-[(5-methyl-1H-pyrazole-3-carbonyl)-propylamino]acetate
SMILESCCCN(CC(=O)OCC)C(=O)c1cc(C)[nH]n1
InChIInChI=1S/C12H19N3O3/c1-4-6-15(8-11(16)18-5-2)12(17)10-7-9(3)13-14-10/h7H,4-6,8H2,1-3H3,(H,13,14)
InChIKeyNWFWUWQQWPTDCF-UHFFFAOYSA-N
XLogP1.13
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(6-oxo-1H-pyridazine-3-carbonyl)-propylamino]acetate
CID 54898620
ethyl 2-[propyl(pyridine-2-carbonyl)amino]acetate
CID 54898857
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-5-methyl-N-propyl-1H-pyrazole-3-carboxamide
CID 60521050
N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 111596679
5-methyl-N-(piperidin-3-ylmethyl)-N-propyl-1H-pyrazole-3-carboxamide
CID 106628456
acetylene;ethyl 5-methyl-1H-pyrazole-3-carboxylate
CID 164570952
ethyl 2-[(5-cyano-6-methylpyridine-2-carbonyl)-propylamino]acetate
CID 61007860
ethyl 2-[(4-methoxythiophene-2-carbonyl)-propylamino]acetate
CID 79465658
N,5-dimethyl-1H-pyrazole-3-carbohydrazide
CID 13405305
ethyl 2-[(5-ethylthiophene-2-carbonyl)-propylamino]acetate
CID 54898816
ethyl 2-[(2-bromofuran-3-carbonyl)-propylamino]acetate
CID 106853797
ethyl 2-[(4-amino-1-methylpyrrole-2-carbonyl)-propylamino]acetate
CID 55003688

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-methyl-1H-pyrazole-3-carbonyl)-propylamino]acetate?
The IUPAC name of ethyl 2-[(5-methyl-1H-pyrazole-3-carbonyl)-propylamino]acetate (CID 62615904) is ethyl 2-[(5-methyl-1H-pyrazole-3-carbonyl)-propylamino]acetate.
What is the SMILES notation for ethyl 2-[(5-methyl-1H-pyrazole-3-carbonyl)-propylamino]acetate?
The canonical SMILES for ethyl 2-[(5-methyl-1H-pyrazole-3-carbonyl)-propylamino]acetate is CCCN(CC(=O)OCC)C(=O)c1cc(C)[nH]n1.
What is the InChIKey of ethyl 2-[(5-methyl-1H-pyrazole-3-carbonyl)-propylamino]acetate?
The InChIKey is NWFWUWQQWPTDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-4-6-15(8-11(16)18-5-2)12(17)10-7-9(3)13-14-10/h7H,4-6,8H2,1-3H3,(H,13,14).
What are the key properties of ethyl 2-[(5-methyl-1H-pyrazole-3-carbonyl)-propylamino]acetate?
ethyl 2-[(5-methyl-1H-pyrazole-3-carbonyl)-propylamino]acetate has a molecular weight of 253.30 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-methyl-1H-pyrazole-3-carbonyl)-propylamino]acetate is sourced from PubChem (CID 62615904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).