ethyl 1-cyclopentyl-3-morpholin-4-ylpyrazole-4-carboxylate

C15H23N3O3 — CID 137355677

IUPACethyl 1-cyclopentyl-3-morpholin-4-ylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cn(C2CCCC2)nc1N1CCOCC1
InChIInChI=1S/C15H23N3O3/c1-2-21-15(19)13-11-18(12-5-3-4-6-12)16-14(13)17-7-9-20-10-8-17/h11-12H,2-10H2,1H3
InChIKeyNPLSOZFGOURQTJ-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.01
Rot. Bonds4

About ethyl 1-cyclopentyl-3-morpholin-4-ylpyrazole-4-carboxylate

ethyl 1-cyclopentyl-3-morpholin-4-ylpyrazole-4-carboxylate (PubChem CID 137355677) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is ethyl 1-cyclopentyl-3-morpholin-4-ylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-cyclopentyl-3-morpholin-4-ylpyrazole-4-carboxylate
PubChem CID137355677
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Nameethyl 1-cyclopentyl-3-morpholin-4-ylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cn(C2CCCC2)nc1N1CCOCC1
InChIInChI=1S/C15H23N3O3/c1-2-21-15(19)13-11-18(12-5-3-4-6-12)16-14(13)17-7-9-20-10-8-17/h11-12H,2-10H2,1H3
InChIKeyNPLSOZFGOURQTJ-UHFFFAOYSA-N
XLogP2.01
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-cyclopentyl-3-morpholin-4-ylpyrazole-4-carboxylate?
The IUPAC name of ethyl 1-cyclopentyl-3-morpholin-4-ylpyrazole-4-carboxylate (CID 137355677) is ethyl 1-cyclopentyl-3-morpholin-4-ylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-cyclopentyl-3-morpholin-4-ylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-cyclopentyl-3-morpholin-4-ylpyrazole-4-carboxylate is CCOC(=O)c1cn(C2CCCC2)nc1N1CCOCC1.
What is the InChIKey of ethyl 1-cyclopentyl-3-morpholin-4-ylpyrazole-4-carboxylate?
The InChIKey is NPLSOZFGOURQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-2-21-15(19)13-11-18(12-5-3-4-6-12)16-14(13)17-7-9-20-10-8-17/h11-12H,2-10H2,1H3.
What are the key properties of ethyl 1-cyclopentyl-3-morpholin-4-ylpyrazole-4-carboxylate?
ethyl 1-cyclopentyl-3-morpholin-4-ylpyrazole-4-carboxylate has a molecular weight of 293.37 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-cyclopentyl-3-morpholin-4-ylpyrazole-4-carboxylate is sourced from PubChem (CID 137355677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).