3-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-3-yl]chromen-2-one

C23H19N3O4 — CID 1288593

IUPAC3-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-3-yl]chromen-2-one
SMILESO=C(c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O)N1CCOCC1
InChIInChI=1S/C23H19N3O4/c27-22(25-10-12-29-13-11-25)19-15-26(17-7-2-1-3-8-17)24-21(19)18-14-16-6-4-5-9-20(16)30-23(18)28/h1-9,14-15H,10-13H2
InChIKeyXGCABENSTYTSJU-UHFFFAOYSA-N
MW401.42 g/mol
LogP3.12
Rot. Bonds3

About 3-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-3-yl]chromen-2-one

3-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-3-yl]chromen-2-one (PubChem CID 1288593) has the molecular formula C23H19N3O4 and a molecular weight of 401.42 g/mol. Its IUPAC name is 3-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-3-yl]chromen-2-one.

Molecular Properties

Compound Name3-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-3-yl]chromen-2-one
PubChem CID1288593
Molecular FormulaC23H19N3O4
Molecular Weight401.42 g/mol
Exact Mass401.14
IUPAC Name3-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-3-yl]chromen-2-one
SMILESO=C(c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O)N1CCOCC1
InChIInChI=1S/C23H19N3O4/c27-22(25-10-12-29-13-11-25)19-15-26(17-7-2-1-3-8-17)24-21(19)18-14-16-6-4-5-9-20(16)30-23(18)28/h1-9,14-15H,10-13H2
InChIKeyXGCABENSTYTSJU-UHFFFAOYSA-N
XLogP3.12
TPSA77.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(2-oxochromen-3-yl)-1-phenylpyrazole-4-carboxylate
CID 2333871
N,N-dimethyl-3-(2-oxochromen-3-yl)-1-phenylpyrazole-4-carboxamide
CID 2140151
[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone
CID 29202076
(Z)-3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-1-morpholin-4-ylprop-2-en-1-one
CID 2177615
[3-(2,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone
CID 29202082
N-(4-acetylphenyl)-3-(2-oxochromen-3-yl)-1-phenylpyrazole-4-carboxamide
CID 2398116
2-chloro-N-[(E)-[3-(2-oxochromen-3-yl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 75460469
3-[1-phenyl-4-[(Z)-1,2,4-triazol-4-yliminomethyl]pyrazol-3-yl]chromen-2-one
CID 9014471
3-[4-[(4-hydroxyphenyl)iminomethyl]-1-phenylpyrazol-3-yl]chromen-2-one
CID 5083663
N-benzyl-3-[3-(2-oxochromen-3-yl)-1-phenylpyrazol-4-yl]prop-2-enamide
CID 1288654
3-[4-(benzyliminomethyl)-1-phenylpyrazol-3-yl]chromen-2-one
CID 2319465
(E)-3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one
CID 6297755

Frequently Asked Questions

What is the IUPAC name of 3-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-3-yl]chromen-2-one?
The IUPAC name of 3-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-3-yl]chromen-2-one (CID 1288593) is 3-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-3-yl]chromen-2-one.
What is the SMILES notation for 3-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-3-yl]chromen-2-one?
The canonical SMILES for 3-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-3-yl]chromen-2-one is O=C(c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O)N1CCOCC1.
What is the InChIKey of 3-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-3-yl]chromen-2-one?
The InChIKey is XGCABENSTYTSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O4/c27-22(25-10-12-29-13-11-25)19-15-26(17-7-2-1-3-8-17)24-21(19)18-14-16-6-4-5-9-20(16)30-23(18)28/h1-9,14-15H,10-13H2.
What are the key properties of 3-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-3-yl]chromen-2-one?
3-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-3-yl]chromen-2-one has a molecular weight of 401.42 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-3-yl]chromen-2-one is sourced from PubChem (CID 1288593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).