ethyl 3-morpholin-4-yl-1-propan-2-ylpyrazole-4-carboxylate

C13H21N3O3 — CID 126483031

IUPACethyl 3-morpholin-4-yl-1-propan-2-ylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cn(C(C)C)nc1N1CCOCC1
InChIInChI=1S/C13H21N3O3/c1-4-19-13(17)11-9-16(10(2)3)14-12(11)15-5-7-18-8-6-15/h9-10H,4-8H2,1-3H3
InChIKeyPPKPHMMQPQKNSA-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.48
Rot. Bonds4

About ethyl 3-morpholin-4-yl-1-propan-2-ylpyrazole-4-carboxylate

ethyl 3-morpholin-4-yl-1-propan-2-ylpyrazole-4-carboxylate (PubChem CID 126483031) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is ethyl 3-morpholin-4-yl-1-propan-2-ylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-morpholin-4-yl-1-propan-2-ylpyrazole-4-carboxylate
PubChem CID126483031
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Nameethyl 3-morpholin-4-yl-1-propan-2-ylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cn(C(C)C)nc1N1CCOCC1
InChIInChI=1S/C13H21N3O3/c1-4-19-13(17)11-9-16(10(2)3)14-12(11)15-5-7-18-8-6-15/h9-10H,4-8H2,1-3H3
InChIKeyPPKPHMMQPQKNSA-UHFFFAOYSA-N
XLogP1.48
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-morpholin-4-yl-1-propan-2-ylpyrazole-4-carboxylate?
The IUPAC name of ethyl 3-morpholin-4-yl-1-propan-2-ylpyrazole-4-carboxylate (CID 126483031) is ethyl 3-morpholin-4-yl-1-propan-2-ylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 3-morpholin-4-yl-1-propan-2-ylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 3-morpholin-4-yl-1-propan-2-ylpyrazole-4-carboxylate is CCOC(=O)c1cn(C(C)C)nc1N1CCOCC1.
What is the InChIKey of ethyl 3-morpholin-4-yl-1-propan-2-ylpyrazole-4-carboxylate?
The InChIKey is PPKPHMMQPQKNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-4-19-13(17)11-9-16(10(2)3)14-12(11)15-5-7-18-8-6-15/h9-10H,4-8H2,1-3H3.
What are the key properties of ethyl 3-morpholin-4-yl-1-propan-2-ylpyrazole-4-carboxylate?
ethyl 3-morpholin-4-yl-1-propan-2-ylpyrazole-4-carboxylate has a molecular weight of 267.33 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-morpholin-4-yl-1-propan-2-ylpyrazole-4-carboxylate is sourced from PubChem (CID 126483031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).