3-(3-morpholin-4-ylprop-2-enoyl)-1,5-diphenylpyrazole-4-carbonitrile

C23H20N4O2 — CID 75579388

IUPAC3-(3-morpholin-4-ylprop-2-enoyl)-1,5-diphenylpyrazole-4-carbonitrile
SMILESN#Cc1c(C(=O)C=CN2CCOCC2)nn(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C23H20N4O2/c24-17-20-22(21(28)11-12-26-13-15-29-16-14-26)25-27(19-9-5-2-6-10-19)23(20)18-7-3-1-4-8-18/h1-12H,13-16H2
InChIKeyOENXDWVWAJILMZ-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.44
Rot. Bonds5

About 3-(3-morpholin-4-ylprop-2-enoyl)-1,5-diphenylpyrazole-4-carbonitrile

3-(3-morpholin-4-ylprop-2-enoyl)-1,5-diphenylpyrazole-4-carbonitrile (PubChem CID 75579388) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 3-(3-morpholin-4-ylprop-2-enoyl)-1,5-diphenylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name3-(3-morpholin-4-ylprop-2-enoyl)-1,5-diphenylpyrazole-4-carbonitrile
PubChem CID75579388
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name3-(3-morpholin-4-ylprop-2-enoyl)-1,5-diphenylpyrazole-4-carbonitrile
SMILESN#Cc1c(C(=O)C=CN2CCOCC2)nn(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C23H20N4O2/c24-17-20-22(21(28)11-12-26-13-15-29-16-14-26)25-27(19-9-5-2-6-10-19)23(20)18-7-3-1-4-8-18/h1-12H,13-16H2
InChIKeyOENXDWVWAJILMZ-UHFFFAOYSA-N
XLogP3.44
TPSA71.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-morpholin-4-ylprop-2-enoyl)-1,5-diphenylpyrazole-4-carbonitrile?
The IUPAC name of 3-(3-morpholin-4-ylprop-2-enoyl)-1,5-diphenylpyrazole-4-carbonitrile (CID 75579388) is 3-(3-morpholin-4-ylprop-2-enoyl)-1,5-diphenylpyrazole-4-carbonitrile.
What is the SMILES notation for 3-(3-morpholin-4-ylprop-2-enoyl)-1,5-diphenylpyrazole-4-carbonitrile?
The canonical SMILES for 3-(3-morpholin-4-ylprop-2-enoyl)-1,5-diphenylpyrazole-4-carbonitrile is N#Cc1c(C(=O)C=CN2CCOCC2)nn(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 3-(3-morpholin-4-ylprop-2-enoyl)-1,5-diphenylpyrazole-4-carbonitrile?
The InChIKey is OENXDWVWAJILMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c24-17-20-22(21(28)11-12-26-13-15-29-16-14-26)25-27(19-9-5-2-6-10-19)23(20)18-7-3-1-4-8-18/h1-12H,13-16H2.
What are the key properties of 3-(3-morpholin-4-ylprop-2-enoyl)-1,5-diphenylpyrazole-4-carbonitrile?
3-(3-morpholin-4-ylprop-2-enoyl)-1,5-diphenylpyrazole-4-carbonitrile has a molecular weight of 384.44 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-morpholin-4-ylprop-2-enoyl)-1,5-diphenylpyrazole-4-carbonitrile is sourced from PubChem (CID 75579388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).