ethyl 2-[cyclopropyl-[3-(2-methylpyrazol-3-yl)prop-2-enoyl]amino]acetate

C14H19N3O3 — CID 76903596

IUPACethyl 2-[cyclopropyl-[3-(2-methylpyrazol-3-yl)prop-2-enoyl]amino]acetate
SMILESCCOC(=O)CN(C(=O)C=Cc1ccnn1C)C1CC1
InChIInChI=1S/C14H19N3O3/c1-3-20-14(19)10-17(12-4-5-12)13(18)7-6-11-8-9-15-16(11)2/h6-9,12H,3-5,10H2,1-2H3
InChIKeyJXNRXUNBQLKYDF-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.99
Rot. Bonds6

About ethyl 2-[cyclopropyl-[3-(2-methylpyrazol-3-yl)prop-2-enoyl]amino]acetate

ethyl 2-[cyclopropyl-[3-(2-methylpyrazol-3-yl)prop-2-enoyl]amino]acetate (PubChem CID 76903596) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is ethyl 2-[cyclopropyl-[3-(2-methylpyrazol-3-yl)prop-2-enoyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[cyclopropyl-[3-(2-methylpyrazol-3-yl)prop-2-enoyl]amino]acetate
PubChem CID76903596
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Nameethyl 2-[cyclopropyl-[3-(2-methylpyrazol-3-yl)prop-2-enoyl]amino]acetate
SMILESCCOC(=O)CN(C(=O)C=Cc1ccnn1C)C1CC1
InChIInChI=1S/C14H19N3O3/c1-3-20-14(19)10-17(12-4-5-12)13(18)7-6-11-8-9-15-16(11)2/h6-9,12H,3-5,10H2,1-2H3
InChIKeyJXNRXUNBQLKYDF-UHFFFAOYSA-N
XLogP0.99
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclopropyl-[3-(2-methylpyrazol-3-yl)prop-2-enoyl]amino]acetate?
The IUPAC name of ethyl 2-[cyclopropyl-[3-(2-methylpyrazol-3-yl)prop-2-enoyl]amino]acetate (CID 76903596) is ethyl 2-[cyclopropyl-[3-(2-methylpyrazol-3-yl)prop-2-enoyl]amino]acetate.
What is the SMILES notation for ethyl 2-[cyclopropyl-[3-(2-methylpyrazol-3-yl)prop-2-enoyl]amino]acetate?
The canonical SMILES for ethyl 2-[cyclopropyl-[3-(2-methylpyrazol-3-yl)prop-2-enoyl]amino]acetate is CCOC(=O)CN(C(=O)C=Cc1ccnn1C)C1CC1.
What is the InChIKey of ethyl 2-[cyclopropyl-[3-(2-methylpyrazol-3-yl)prop-2-enoyl]amino]acetate?
The InChIKey is JXNRXUNBQLKYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-3-20-14(19)10-17(12-4-5-12)13(18)7-6-11-8-9-15-16(11)2/h6-9,12H,3-5,10H2,1-2H3.
What are the key properties of ethyl 2-[cyclopropyl-[3-(2-methylpyrazol-3-yl)prop-2-enoyl]amino]acetate?
ethyl 2-[cyclopropyl-[3-(2-methylpyrazol-3-yl)prop-2-enoyl]amino]acetate has a molecular weight of 277.32 g/mol, XLogP of 0.99, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclopropyl-[3-(2-methylpyrazol-3-yl)prop-2-enoyl]amino]acetate is sourced from PubChem (CID 76903596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).