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

C19H26N4O5 — CID 16749230

IUPACethyl 5-(2-ethoxyethylcarbamoylamino)-1-(2-hydroxy-2-phenylethyl)pyrazole-4-carboxylate
SMILESCCOCCNC(=O)Nc1c(C(=O)OCC)cnn1CC(O)c1ccccc1
InChIInChI=1S/C19H26N4O5/c1-3-27-11-10-20-19(26)22-17-15(18(25)28-4-2)12-21-23(17)13-16(24)14-8-6-5-7-9-14/h5-9,12,16,24H,3-4,10-11,13H2,1-2H3,(H2,20,22,26)
InChIKeyBUXUTSZDUKMQBP-UHFFFAOYSA-N
MW390.44 g/mol
LogP1.95
Rot. Bonds10

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

ethyl 5-(2-ethoxyethylcarbamoylamino)-1-(2-hydroxy-2-phenylethyl)pyrazole-4-carboxylate (PubChem CID 16749230) has the molecular formula C19H26N4O5 and a molecular weight of 390.44 g/mol. Its IUPAC name is ethyl 5-(2-ethoxyethylcarbamoylamino)-1-(2-hydroxy-2-phenylethyl)pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2-ethoxyethylcarbamoylamino)-1-(2-hydroxy-2-phenylethyl)pyrazole-4-carboxylate
PubChem CID16749230
Molecular FormulaC19H26N4O5
Molecular Weight390.44 g/mol
Exact Mass390.19
IUPAC Nameethyl 5-(2-ethoxyethylcarbamoylamino)-1-(2-hydroxy-2-phenylethyl)pyrazole-4-carboxylate
SMILESCCOCCNC(=O)Nc1c(C(=O)OCC)cnn1CC(O)c1ccccc1
InChIInChI=1S/C19H26N4O5/c1-3-27-11-10-20-19(26)22-17-15(18(25)28-4-2)12-21-23(17)13-16(24)14-8-6-5-7-9-14/h5-9,12,16,24H,3-4,10-11,13H2,1-2H3,(H2,20,22,26)
InChIKeyBUXUTSZDUKMQBP-UHFFFAOYSA-N
XLogP1.95
TPSA114.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

ethyl 1-(2-hydroxy-2-phenylethyl)-5-[(2-methoxyphenyl)carbamoylamino]pyrazole-4-carboxylate
CID 16749454
ethyl 5-[(4-fluorobenzoyl)amino]-1-(2-hydroxy-2-phenylethyl)pyrazole-4-carboxylate
CID 164510641
ethyl 5-[(3-fluorobenzoyl)amino]-1-(2-hydroxy-2-phenylethyl)pyrazole-4-carboxylate
CID 164510725
ethyl 5-[(2-fluorophenyl)carbamoylamino]-1-(2-hydroxybutyl)pyrazole-4-carboxylate
CID 25211122
ethyl 5-[(4-benzylpiperazin-1-yl)carbamoylamino]-1-(2-hydroxypropyl)pyrazole-4-carboxylate
CID 68899241
ethyl 5-(3,3-diphenylpropanoylamino)-1-methylpyrazole-4-carboxylate
CID 108738872
ethyl 5-amino-1-[2-(4-chlorophenyl)-2-hydroxyethyl]pyrazole-4-carboxylate
CID 23655881
ethyl 4-hydroxy-1-(2-hydroxy-2-phenylethyl)-6-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxylate
CID 135454820
ethyl 1-benzyl-5-propan-2-ylpyrazole-4-carboxylate
CID 60768852
ethyl 1-[(2S)-2-hydroxy-2-phenylethyl]-4-oxo-5-phenoxypyridine-3-carboxylate
CID 95141530
ethyl 1-[4-[(2-hydroxy-2-phenylethyl)carbamoyl]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate
CID 55649666
ethyl 5-(3-methylbutanoylamino)-1-phenylpyrazole-4-carboxylate
CID 4622223

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-ethoxyethylcarbamoylamino)-1-(2-hydroxy-2-phenylethyl)pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-(2-ethoxyethylcarbamoylamino)-1-(2-hydroxy-2-phenylethyl)pyrazole-4-carboxylate (CID 16749230) is ethyl 5-(2-ethoxyethylcarbamoylamino)-1-(2-hydroxy-2-phenylethyl)pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(2-ethoxyethylcarbamoylamino)-1-(2-hydroxy-2-phenylethyl)pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-(2-ethoxyethylcarbamoylamino)-1-(2-hydroxy-2-phenylethyl)pyrazole-4-carboxylate is CCOCCNC(=O)Nc1c(C(=O)OCC)cnn1CC(O)c1ccccc1.
What is the InChIKey of ethyl 5-(2-ethoxyethylcarbamoylamino)-1-(2-hydroxy-2-phenylethyl)pyrazole-4-carboxylate?
The InChIKey is BUXUTSZDUKMQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O5/c1-3-27-11-10-20-19(26)22-17-15(18(25)28-4-2)12-21-23(17)13-16(24)14-8-6-5-7-9-14/h5-9,12,16,24H,3-4,10-11,13H2,1-2H3,(H2,20,22,26).
What are the key properties of ethyl 5-(2-ethoxyethylcarbamoylamino)-1-(2-hydroxy-2-phenylethyl)pyrazole-4-carboxylate?
ethyl 5-(2-ethoxyethylcarbamoylamino)-1-(2-hydroxy-2-phenylethyl)pyrazole-4-carboxylate has a molecular weight of 390.44 g/mol, XLogP of 1.95, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-ethoxyethylcarbamoylamino)-1-(2-hydroxy-2-phenylethyl)pyrazole-4-carboxylate is sourced from PubChem (CID 16749230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).