ethyl 2-[ethyl-(3-ethyl-1-methylpyrazole-5-carbonyl)amino]acetate

C13H21N3O3 — CID 66122513

IUPACethyl 2-[ethyl-(3-ethyl-1-methylpyrazole-5-carbonyl)amino]acetate
SMILESCCOC(=O)CN(CC)C(=O)c1cc(CC)nn1C
InChIInChI=1S/C13H21N3O3/c1-5-10-8-11(15(4)14-10)13(18)16(6-2)9-12(17)19-7-3/h8H,5-7,9H2,1-4H3
InChIKeyDJNHYXJXZXVDQR-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.01
Rot. Bonds6

About ethyl 2-[ethyl-(3-ethyl-1-methylpyrazole-5-carbonyl)amino]acetate

ethyl 2-[ethyl-(3-ethyl-1-methylpyrazole-5-carbonyl)amino]acetate (PubChem CID 66122513) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is ethyl 2-[ethyl-(3-ethyl-1-methylpyrazole-5-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[ethyl-(3-ethyl-1-methylpyrazole-5-carbonyl)amino]acetate
PubChem CID66122513
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Nameethyl 2-[ethyl-(3-ethyl-1-methylpyrazole-5-carbonyl)amino]acetate
SMILESCCOC(=O)CN(CC)C(=O)c1cc(CC)nn1C
InChIInChI=1S/C13H21N3O3/c1-5-10-8-11(15(4)14-10)13(18)16(6-2)9-12(17)19-7-3/h8H,5-7,9H2,1-4H3
InChIKeyDJNHYXJXZXVDQR-UHFFFAOYSA-N
XLogP1.01
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(3-ethyl-1-methylpyrazole-5-carbonyl)-prop-2-enylamino]acetate
CID 115538810
N-(2-bromoethyl)-N,3-diethyl-1-methylpyrazole-5-carboxamide
CID 80661046
3-ethyl-N,N-bis(2-hydroxyethyl)-1-methylpyrazole-5-carboxamide
CID 66122498
methyl 2-[(3-ethyl-1-methylpyrazole-5-carbonyl)-propan-2-ylamino]acetate
CID 66120166
3-ethyl-1-methylpyrazole-5-carboxamide
CID 66119758
ethyl 2-[(4-amino-1-methylpyrazole-5-carbonyl)-ethylamino]acetate
CID 65359410
2-[(1,3-diethylpyrazole-5-carbonyl)-ethylamino]acetic acid
CID 66121770
2-[(3-ethyl-1-methylpyrazole-5-carbonyl)-propan-2-ylamino]acetic acid
CID 66120317
N-butyl-N-(2-chloroethyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66119787
3-ethyl-1-methylpyrazole-5-carboxylic acid
CID 820565
N-(3-amino-3-hydroxyiminopropyl)-3-ethyl-N-(2-methoxyethyl)-1-methylpyrazole-5-carboxamide
CID 77113122
ethyl 2-[(2,6-dichloropyridine-4-carbonyl)-ethylamino]acetate
CID 54978868

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[ethyl-(3-ethyl-1-methylpyrazole-5-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[ethyl-(3-ethyl-1-methylpyrazole-5-carbonyl)amino]acetate (CID 66122513) is ethyl 2-[ethyl-(3-ethyl-1-methylpyrazole-5-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[ethyl-(3-ethyl-1-methylpyrazole-5-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[ethyl-(3-ethyl-1-methylpyrazole-5-carbonyl)amino]acetate is CCOC(=O)CN(CC)C(=O)c1cc(CC)nn1C.
What is the InChIKey of ethyl 2-[ethyl-(3-ethyl-1-methylpyrazole-5-carbonyl)amino]acetate?
The InChIKey is DJNHYXJXZXVDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-5-10-8-11(15(4)14-10)13(18)16(6-2)9-12(17)19-7-3/h8H,5-7,9H2,1-4H3.
What are the key properties of ethyl 2-[ethyl-(3-ethyl-1-methylpyrazole-5-carbonyl)amino]acetate?
ethyl 2-[ethyl-(3-ethyl-1-methylpyrazole-5-carbonyl)amino]acetate has a molecular weight of 267.33 g/mol, XLogP of 1.01, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[ethyl-(3-ethyl-1-methylpyrazole-5-carbonyl)amino]acetate is sourced from PubChem (CID 66122513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).