ethyl 2-[ethyl-(1-methylpyrazole-4-carbonyl)amino]acetate

C11H17N3O3 — CID 54901462

IUPACethyl 2-[ethyl-(1-methylpyrazole-4-carbonyl)amino]acetate
SMILESCCOC(=O)CN(CC)C(=O)c1cnn(C)c1
InChIInChI=1S/C11H17N3O3/c1-4-14(8-10(15)17-5-2)11(16)9-6-12-13(3)7-9/h6-7H,4-5,8H2,1-3H3
InChIKeyBFAYKBVRMXXIFU-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.45
Rot. Bonds5

About ethyl 2-[ethyl-(1-methylpyrazole-4-carbonyl)amino]acetate

ethyl 2-[ethyl-(1-methylpyrazole-4-carbonyl)amino]acetate (PubChem CID 54901462) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is ethyl 2-[ethyl-(1-methylpyrazole-4-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[ethyl-(1-methylpyrazole-4-carbonyl)amino]acetate
PubChem CID54901462
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Nameethyl 2-[ethyl-(1-methylpyrazole-4-carbonyl)amino]acetate
SMILESCCOC(=O)CN(CC)C(=O)c1cnn(C)c1
InChIInChI=1S/C11H17N3O3/c1-4-14(8-10(15)17-5-2)11(16)9-6-12-13(3)7-9/h6-7H,4-5,8H2,1-3H3
InChIKeyBFAYKBVRMXXIFU-UHFFFAOYSA-N
XLogP0.45
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[ethyl-(1-methylpyrazole-4-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[ethyl-(1-methylpyrazole-4-carbonyl)amino]acetate (CID 54901462) is ethyl 2-[ethyl-(1-methylpyrazole-4-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[ethyl-(1-methylpyrazole-4-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[ethyl-(1-methylpyrazole-4-carbonyl)amino]acetate is CCOC(=O)CN(CC)C(=O)c1cnn(C)c1.
What is the InChIKey of ethyl 2-[ethyl-(1-methylpyrazole-4-carbonyl)amino]acetate?
The InChIKey is BFAYKBVRMXXIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-4-14(8-10(15)17-5-2)11(16)9-6-12-13(3)7-9/h6-7H,4-5,8H2,1-3H3.
What are the key properties of ethyl 2-[ethyl-(1-methylpyrazole-4-carbonyl)amino]acetate?
ethyl 2-[ethyl-(1-methylpyrazole-4-carbonyl)amino]acetate has a molecular weight of 239.27 g/mol, XLogP of 0.45, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[ethyl-(1-methylpyrazole-4-carbonyl)amino]acetate is sourced from PubChem (CID 54901462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).