N-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]anthracene-9-carboxamide

C24H22N4O3 — CID 167772605

IUPACN-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]anthracene-9-carboxamide
SMILESO=C(Nc1ccn(CC(=O)N2CCOCC2)n1)c1c2ccccc2cc2ccccc12
InChIInChI=1S/C24H22N4O3/c29-22(27-11-13-31-14-12-27)16-28-10-9-21(26-28)25-24(30)23-19-7-3-1-5-17(19)15-18-6-2-4-8-20(18)23/h1-10,15H,11-14,16H2,(H,25,26,30)
InChIKeyIWHHFPYMRVDILT-UHFFFAOYSA-N
MW414.47 g/mol
LogP3.30
Rot. Bonds4

About N-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]anthracene-9-carboxamide

N-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]anthracene-9-carboxamide (PubChem CID 167772605) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is N-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]anthracene-9-carboxamide.

Molecular Properties

Compound NameN-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]anthracene-9-carboxamide
PubChem CID167772605
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC NameN-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]anthracene-9-carboxamide
SMILESO=C(Nc1ccn(CC(=O)N2CCOCC2)n1)c1c2ccccc2cc2ccccc12
InChIInChI=1S/C24H22N4O3/c29-22(27-11-13-31-14-12-27)16-28-10-9-21(26-28)25-24(30)23-19-7-3-1-5-17(19)15-18-6-2-4-8-20(18)23/h1-10,15H,11-14,16H2,(H,25,26,30)
InChIKeyIWHHFPYMRVDILT-UHFFFAOYSA-N
XLogP3.30
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

4,4-difluoro-N-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]cyclohexane-1-carboxamide
CID 138994791
1-methyl-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-3-yl]-2-oxoquinoline-4-carboxamide
CID 167775582
2-indol-1-yl-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-3-yl]acetamide
CID 166210562
1-morpholin-4-yl-2-(3-propan-2-ylpyrazol-1-yl)ethanone
CID 97243102
1-morpholin-4-yl-2-[3-[1-(1,3-thiazol-2-yl)ethylamino]pyrazol-1-yl]ethanone
CID 167803536
6-(cyclopropylamino)-N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]pyridine-2-carboxamide
CID 122637013
N-[6-(1-hydroxyethenyl)-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 118182683
N-(3-morpholin-4-yl-3-oxopropyl)quinoline-2-carboxamide
CID 46598471
N-(2-morpholin-4-yl-2-oxoethyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 5073065
N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]benzo[f]quinoline-5-carboxamide
CID 75469956
6-chloro-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-3-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 166210561
2-[2-[16-[2-(1,3-dioxoisoindol-2-yl)acetyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-2-oxoethyl]isoindole-1,3-dione
CID 2829028

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]anthracene-9-carboxamide?
The IUPAC name of N-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]anthracene-9-carboxamide (CID 167772605) is N-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]anthracene-9-carboxamide.
What is the SMILES notation for N-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]anthracene-9-carboxamide?
The canonical SMILES for N-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]anthracene-9-carboxamide is O=C(Nc1ccn(CC(=O)N2CCOCC2)n1)c1c2ccccc2cc2ccccc12.
What is the InChIKey of N-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]anthracene-9-carboxamide?
The InChIKey is IWHHFPYMRVDILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3/c29-22(27-11-13-31-14-12-27)16-28-10-9-21(26-28)25-24(30)23-19-7-3-1-5-17(19)15-18-6-2-4-8-20(18)23/h1-10,15H,11-14,16H2,(H,25,26,30).
What are the key properties of N-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]anthracene-9-carboxamide?
N-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]anthracene-9-carboxamide has a molecular weight of 414.47 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]anthracene-9-carboxamide is sourced from PubChem (CID 167772605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).