ethyl 2-[cyclopropyl-(2-pyrazol-1-ylacetyl)amino]acetate

C12H17N3O3 — CID 54984137

IUPACethyl 2-[cyclopropyl-(2-pyrazol-1-ylacetyl)amino]acetate
SMILESCCOC(=O)CN(C(=O)Cn1cccn1)C1CC1
InChIInChI=1S/C12H17N3O3/c1-2-18-12(17)9-15(10-4-5-10)11(16)8-14-7-3-6-13-14/h3,6-7,10H,2,4-5,8-9H2,1H3
InChIKeyKGMPPIMQEBNJTF-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.44
Rot. Bonds6

About ethyl 2-[cyclopropyl-(2-pyrazol-1-ylacetyl)amino]acetate

ethyl 2-[cyclopropyl-(2-pyrazol-1-ylacetyl)amino]acetate (PubChem CID 54984137) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is ethyl 2-[cyclopropyl-(2-pyrazol-1-ylacetyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[cyclopropyl-(2-pyrazol-1-ylacetyl)amino]acetate
PubChem CID54984137
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Nameethyl 2-[cyclopropyl-(2-pyrazol-1-ylacetyl)amino]acetate
SMILESCCOC(=O)CN(C(=O)Cn1cccn1)C1CC1
InChIInChI=1S/C12H17N3O3/c1-2-18-12(17)9-15(10-4-5-10)11(16)8-14-7-3-6-13-14/h3,6-7,10H,2,4-5,8-9H2,1H3
InChIKeyKGMPPIMQEBNJTF-UHFFFAOYSA-N
XLogP0.44
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclopropyl-(2-pyrazol-1-ylacetyl)amino]acetate?
The IUPAC name of ethyl 2-[cyclopropyl-(2-pyrazol-1-ylacetyl)amino]acetate (CID 54984137) is ethyl 2-[cyclopropyl-(2-pyrazol-1-ylacetyl)amino]acetate.
What is the SMILES notation for ethyl 2-[cyclopropyl-(2-pyrazol-1-ylacetyl)amino]acetate?
The canonical SMILES for ethyl 2-[cyclopropyl-(2-pyrazol-1-ylacetyl)amino]acetate is CCOC(=O)CN(C(=O)Cn1cccn1)C1CC1.
What is the InChIKey of ethyl 2-[cyclopropyl-(2-pyrazol-1-ylacetyl)amino]acetate?
The InChIKey is KGMPPIMQEBNJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-2-18-12(17)9-15(10-4-5-10)11(16)8-14-7-3-6-13-14/h3,6-7,10H,2,4-5,8-9H2,1H3.
What are the key properties of ethyl 2-[cyclopropyl-(2-pyrazol-1-ylacetyl)amino]acetate?
ethyl 2-[cyclopropyl-(2-pyrazol-1-ylacetyl)amino]acetate has a molecular weight of 251.29 g/mol, XLogP of 0.44, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclopropyl-(2-pyrazol-1-ylacetyl)amino]acetate is sourced from PubChem (CID 54984137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).