ethyl 2-[(4-amino-1-ethylpyrazole-3-carbonyl)-(2-methylpropyl)amino]acetate

C14H24N4O3 — CID 65358337

IUPACethyl 2-[(4-amino-1-ethylpyrazole-3-carbonyl)-(2-methylpropyl)amino]acetate
SMILESCCOC(=O)CN(CC(C)C)C(=O)c1nn(CC)cc1N
InChIInChI=1S/C14H24N4O3/c1-5-18-8-11(15)13(16-18)14(20)17(7-10(3)4)9-12(19)21-6-2/h8,10H,5-7,9,15H2,1-4H3
InChIKeyKXPCEVAWHKTXDX-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.15
Rot. Bonds7

About ethyl 2-[(4-amino-1-ethylpyrazole-3-carbonyl)-(2-methylpropyl)amino]acetate

ethyl 2-[(4-amino-1-ethylpyrazole-3-carbonyl)-(2-methylpropyl)amino]acetate (PubChem CID 65358337) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is ethyl 2-[(4-amino-1-ethylpyrazole-3-carbonyl)-(2-methylpropyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-amino-1-ethylpyrazole-3-carbonyl)-(2-methylpropyl)amino]acetate
PubChem CID65358337
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Nameethyl 2-[(4-amino-1-ethylpyrazole-3-carbonyl)-(2-methylpropyl)amino]acetate
SMILESCCOC(=O)CN(CC(C)C)C(=O)c1nn(CC)cc1N
InChIInChI=1S/C14H24N4O3/c1-5-18-8-11(15)13(16-18)14(20)17(7-10(3)4)9-12(19)21-6-2/h8,10H,5-7,9,15H2,1-4H3
InChIKeyKXPCEVAWHKTXDX-UHFFFAOYSA-N
XLogP1.15
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-amino-1-ethylpyrazole-3-carbonyl)-(2-methylpropyl)amino]acetate?
The IUPAC name of ethyl 2-[(4-amino-1-ethylpyrazole-3-carbonyl)-(2-methylpropyl)amino]acetate (CID 65358337) is ethyl 2-[(4-amino-1-ethylpyrazole-3-carbonyl)-(2-methylpropyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(4-amino-1-ethylpyrazole-3-carbonyl)-(2-methylpropyl)amino]acetate?
The canonical SMILES for ethyl 2-[(4-amino-1-ethylpyrazole-3-carbonyl)-(2-methylpropyl)amino]acetate is CCOC(=O)CN(CC(C)C)C(=O)c1nn(CC)cc1N.
What is the InChIKey of ethyl 2-[(4-amino-1-ethylpyrazole-3-carbonyl)-(2-methylpropyl)amino]acetate?
The InChIKey is KXPCEVAWHKTXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-5-18-8-11(15)13(16-18)14(20)17(7-10(3)4)9-12(19)21-6-2/h8,10H,5-7,9,15H2,1-4H3.
What are the key properties of ethyl 2-[(4-amino-1-ethylpyrazole-3-carbonyl)-(2-methylpropyl)amino]acetate?
ethyl 2-[(4-amino-1-ethylpyrazole-3-carbonyl)-(2-methylpropyl)amino]acetate has a molecular weight of 296.37 g/mol, XLogP of 1.15, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-amino-1-ethylpyrazole-3-carbonyl)-(2-methylpropyl)amino]acetate is sourced from PubChem (CID 65358337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).