1-morpholin-4-ylpropan-2-yl 3-ethyl-1-methylpyrazole-4-carboxylate

C14H23N3O3 — CID 75520681

IUPAC1-morpholin-4-ylpropan-2-yl 3-ethyl-1-methylpyrazole-4-carboxylate
SMILESCCc1nn(C)cc1C(=O)OC(C)CN1CCOCC1
InChIInChI=1S/C14H23N3O3/c1-4-13-12(10-16(3)15-13)14(18)20-11(2)9-17-5-7-19-8-6-17/h10-11H,4-9H2,1-3H3
InChIKeyLEUNXLXPEKKCFE-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.86
Rot. Bonds5

About 1-morpholin-4-ylpropan-2-yl 3-ethyl-1-methylpyrazole-4-carboxylate

1-morpholin-4-ylpropan-2-yl 3-ethyl-1-methylpyrazole-4-carboxylate (PubChem CID 75520681) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-morpholin-4-ylpropan-2-yl 3-ethyl-1-methylpyrazole-4-carboxylate.

Molecular Properties

Compound Name1-morpholin-4-ylpropan-2-yl 3-ethyl-1-methylpyrazole-4-carboxylate
PubChem CID75520681
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name1-morpholin-4-ylpropan-2-yl 3-ethyl-1-methylpyrazole-4-carboxylate
SMILESCCc1nn(C)cc1C(=O)OC(C)CN1CCOCC1
InChIInChI=1S/C14H23N3O3/c1-4-13-12(10-16(3)15-13)14(18)20-11(2)9-17-5-7-19-8-6-17/h10-11H,4-9H2,1-3H3
InChIKeyLEUNXLXPEKKCFE-UHFFFAOYSA-N
XLogP0.86
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-ylpropan-2-yl 3-ethyl-1-methylpyrazole-4-carboxylate?
The IUPAC name of 1-morpholin-4-ylpropan-2-yl 3-ethyl-1-methylpyrazole-4-carboxylate (CID 75520681) is 1-morpholin-4-ylpropan-2-yl 3-ethyl-1-methylpyrazole-4-carboxylate.
What is the SMILES notation for 1-morpholin-4-ylpropan-2-yl 3-ethyl-1-methylpyrazole-4-carboxylate?
The canonical SMILES for 1-morpholin-4-ylpropan-2-yl 3-ethyl-1-methylpyrazole-4-carboxylate is CCc1nn(C)cc1C(=O)OC(C)CN1CCOCC1.
What is the InChIKey of 1-morpholin-4-ylpropan-2-yl 3-ethyl-1-methylpyrazole-4-carboxylate?
The InChIKey is LEUNXLXPEKKCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-4-13-12(10-16(3)15-13)14(18)20-11(2)9-17-5-7-19-8-6-17/h10-11H,4-9H2,1-3H3.
What are the key properties of 1-morpholin-4-ylpropan-2-yl 3-ethyl-1-methylpyrazole-4-carboxylate?
1-morpholin-4-ylpropan-2-yl 3-ethyl-1-methylpyrazole-4-carboxylate has a molecular weight of 281.36 g/mol, XLogP of 0.86, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-ylpropan-2-yl 3-ethyl-1-methylpyrazole-4-carboxylate is sourced from PubChem (CID 75520681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).