ethyl 1-(2-hydroxy-2-phenylethyl)-5-(morpholine-4-carbonylamino)pyrazole-4-carboxylate

C19H24N4O5 — CID 16749342

IUPACethyl 1-(2-hydroxy-2-phenylethyl)-5-(morpholine-4-carbonylamino)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(CC(O)c2ccccc2)c1NC(=O)N1CCOCC1
InChIInChI=1S/C19H24N4O5/c1-2-28-18(25)15-12-20-23(13-16(24)14-6-4-3-5-7-14)17(15)21-19(26)22-8-10-27-11-9-22/h3-7,12,16,24H,2,8-11,13H2,1H3,(H,21,26)
InChIKeyQRJMEALXSFQOLB-UHFFFAOYSA-N
MW388.42 g/mol
LogP1.66
Rot. Bonds6

About ethyl 1-(2-hydroxy-2-phenylethyl)-5-(morpholine-4-carbonylamino)pyrazole-4-carboxylate

ethyl 1-(2-hydroxy-2-phenylethyl)-5-(morpholine-4-carbonylamino)pyrazole-4-carboxylate (PubChem CID 16749342) has the molecular formula C19H24N4O5 and a molecular weight of 388.42 g/mol. Its IUPAC name is ethyl 1-(2-hydroxy-2-phenylethyl)-5-(morpholine-4-carbonylamino)pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-hydroxy-2-phenylethyl)-5-(morpholine-4-carbonylamino)pyrazole-4-carboxylate
PubChem CID16749342
Molecular FormulaC19H24N4O5
Molecular Weight388.42 g/mol
Exact Mass388.17
IUPAC Nameethyl 1-(2-hydroxy-2-phenylethyl)-5-(morpholine-4-carbonylamino)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(CC(O)c2ccccc2)c1NC(=O)N1CCOCC1
InChIInChI=1S/C19H24N4O5/c1-2-28-18(25)15-12-20-23(13-16(24)14-6-4-3-5-7-14)17(15)21-19(26)22-8-10-27-11-9-22/h3-7,12,16,24H,2,8-11,13H2,1H3,(H,21,26)
InChIKeyQRJMEALXSFQOLB-UHFFFAOYSA-N
XLogP1.66
TPSA105.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-hydroxy-2-phenylethyl)-5-(morpholine-4-carbonylamino)pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-(2-hydroxy-2-phenylethyl)-5-(morpholine-4-carbonylamino)pyrazole-4-carboxylate (CID 16749342) is ethyl 1-(2-hydroxy-2-phenylethyl)-5-(morpholine-4-carbonylamino)pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-(2-hydroxy-2-phenylethyl)-5-(morpholine-4-carbonylamino)pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-(2-hydroxy-2-phenylethyl)-5-(morpholine-4-carbonylamino)pyrazole-4-carboxylate is CCOC(=O)c1cnn(CC(O)c2ccccc2)c1NC(=O)N1CCOCC1.
What is the InChIKey of ethyl 1-(2-hydroxy-2-phenylethyl)-5-(morpholine-4-carbonylamino)pyrazole-4-carboxylate?
The InChIKey is QRJMEALXSFQOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O5/c1-2-28-18(25)15-12-20-23(13-16(24)14-6-4-3-5-7-14)17(15)21-19(26)22-8-10-27-11-9-22/h3-7,12,16,24H,2,8-11,13H2,1H3,(H,21,26).
What are the key properties of ethyl 1-(2-hydroxy-2-phenylethyl)-5-(morpholine-4-carbonylamino)pyrazole-4-carboxylate?
ethyl 1-(2-hydroxy-2-phenylethyl)-5-(morpholine-4-carbonylamino)pyrazole-4-carboxylate has a molecular weight of 388.42 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-hydroxy-2-phenylethyl)-5-(morpholine-4-carbonylamino)pyrazole-4-carboxylate is sourced from PubChem (CID 16749342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).