ethyl 5-[(2-morpholin-4-ylacetyl)amino]-1-phenylpyrazole-4-carboxylate

C18H22N4O4 — CID 2816014

IUPACethyl 5-[(2-morpholin-4-ylacetyl)amino]-1-phenylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)CN1CCOCC1
InChIInChI=1S/C18H22N4O4/c1-2-26-18(24)15-12-19-22(14-6-4-3-5-7-14)17(15)20-16(23)13-21-8-10-25-11-9-21/h3-7,12H,2,8-11,13H2,1H3,(H,20,23)
InChIKeyFZOFSKRUDOKELJ-UHFFFAOYSA-N
MW358.40 g/mol
LogP1.32
Rot. Bonds6

About ethyl 5-[(2-morpholin-4-ylacetyl)amino]-1-phenylpyrazole-4-carboxylate

ethyl 5-[(2-morpholin-4-ylacetyl)amino]-1-phenylpyrazole-4-carboxylate (PubChem CID 2816014) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is ethyl 5-[(2-morpholin-4-ylacetyl)amino]-1-phenylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(2-morpholin-4-ylacetyl)amino]-1-phenylpyrazole-4-carboxylate
PubChem CID2816014
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Nameethyl 5-[(2-morpholin-4-ylacetyl)amino]-1-phenylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)CN1CCOCC1
InChIInChI=1S/C18H22N4O4/c1-2-26-18(24)15-12-19-22(14-6-4-3-5-7-14)17(15)20-16(23)13-21-8-10-25-11-9-21/h3-7,12H,2,8-11,13H2,1H3,(H,20,23)
InChIKeyFZOFSKRUDOKELJ-UHFFFAOYSA-N
XLogP1.32
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Ethyl 5-amino-1-phenyl-1H-pyrazole-4-carboxylate
CID 85270
Ethyl 5-(2,2,3,3,4,4,4-heptafluorobutanamido)-1-phenyl-1H-pyrazole-4-carboxylate
CID 1756117
Ethyl 5-[(2-fluorophenyl)carbamoylamino]-1-(2-hydroxybutyl)pyrazole-4-carboxylate
CID 25211122
Ethyl 5-[(2-fluorophenyl)carbamoylamino]-1-(2-hydroxypropyl)pyrazole-4-carboxylate
CID 25211212
Ethyl 5-[(3-fluorophenyl)carbamoylamino]-1-(2-hydroxybutyl)pyrazole-4-carboxylate
CID 25211213
Ethyl 5-[(3-fluorophenyl)carbamoylamino]-1-(2-hydroxypropyl)pyrazole-4-carboxylate
CID 25211214
Ethyl 5-[(4-fluorophenyl)carbamoylamino]-1-(2-hydroxypropyl)pyrazole-4-carboxylate
CID 25211215
Ethyl 5-[(4-benzylpiperazine-1-carbonyl)amino]-1-(2-hydroxybutyl)pyrazole-4-carboxylate
CID 25190987
Ethyl 5-[(4-benzylpiperazine-1-carbonyl)amino]-1-(2-hydroxypropyl)pyrazole-4-carboxylate
CID 44574417
Ethyl 5-[(4-benzylpiperazine-1-carbonyl)amino]-1-methylpyrazole-4-carboxylate
CID 44574689
N-(2-Methoxy-ethyl)-2-(4-oxo-1-p-tolyl-1,4-dihydro-pyrazolo[3,4-d]pyrimidin-5-yl)-acetamide
CID 3227789
methyl (4-oxo-1-phenyl-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl)acetate
CID 6620190

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(2-morpholin-4-ylacetyl)amino]-1-phenylpyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[(2-morpholin-4-ylacetyl)amino]-1-phenylpyrazole-4-carboxylate (CID 2816014) is ethyl 5-[(2-morpholin-4-ylacetyl)amino]-1-phenylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[(2-morpholin-4-ylacetyl)amino]-1-phenylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[(2-morpholin-4-ylacetyl)amino]-1-phenylpyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)CN1CCOCC1.
What is the InChIKey of ethyl 5-[(2-morpholin-4-ylacetyl)amino]-1-phenylpyrazole-4-carboxylate?
The InChIKey is FZOFSKRUDOKELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-2-26-18(24)15-12-19-22(14-6-4-3-5-7-14)17(15)20-16(23)13-21-8-10-25-11-9-21/h3-7,12H,2,8-11,13H2,1H3,(H,20,23).
What are the key properties of ethyl 5-[(2-morpholin-4-ylacetyl)amino]-1-phenylpyrazole-4-carboxylate?
ethyl 5-[(2-morpholin-4-ylacetyl)amino]-1-phenylpyrazole-4-carboxylate has a molecular weight of 358.40 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(2-morpholin-4-ylacetyl)amino]-1-phenylpyrazole-4-carboxylate is sourced from PubChem (CID 2816014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).