7-(5-pyrazol-1-ylpentoxy)chromen-2-one

C17H18N2O3 — CID 178078577

IUPAC7-(5-pyrazol-1-ylpentoxy)chromen-2-one
SMILESO=c1ccc2ccc(OCCCCCn3cccn3)cc2o1
InChIInChI=1S/C17H18N2O3/c20-17-8-6-14-5-7-15(13-16(14)22-17)21-12-3-1-2-10-19-11-4-9-18-19/h4-9,11,13H,1-3,10,12H2
InChIKeyHOIWIFZESVKMST-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.24
Rot. Bonds7

About 7-(5-pyrazol-1-ylpentoxy)chromen-2-one

7-(5-pyrazol-1-ylpentoxy)chromen-2-one (PubChem CID 178078577) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 7-(5-pyrazol-1-ylpentoxy)chromen-2-one.

Molecular Properties

Compound Name7-(5-pyrazol-1-ylpentoxy)chromen-2-one
PubChem CID178078577
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name7-(5-pyrazol-1-ylpentoxy)chromen-2-one
SMILESO=c1ccc2ccc(OCCCCCn3cccn3)cc2o1
InChIInChI=1S/C17H18N2O3/c20-17-8-6-14-5-7-15(13-16(14)22-17)21-12-3-1-2-10-19-11-4-9-18-19/h4-9,11,13H,1-3,10,12H2
InChIKeyHOIWIFZESVKMST-UHFFFAOYSA-N
XLogP3.24
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-(8-hydroxyoctoxy)chromen-2-one
CID 11300756
7-(6-hydroxyhexoxy)chromen-2-one
CID 11369034
6-(2-oxochromen-7-yl)oxyhexanal
CID 11414285
7-[11-[4-[4-(6-hydroxyhexoxy)phenyl]phenoxy]undecoxy]chromen-2-one
CID 91941162
7-[2-(4-propoxyphenoxy)ethoxy]chromen-2-one
CID 112775413
7-[6-[4-(benzotriazol-1-yloxymethyl)triazol-1-yl]hexoxy]chromen-2-one
CID 162654393
ethyl 5-(2-oxochromen-7-yl)oxypentanoate
CID 10401949
7-[1-oxo-1-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]propan-2-yl]oxychromen-2-one
CID 171911417
bis[6-(2-oxochromen-7-yl)oxyhexyl] 5-hydroxybenzene-1,3-dicarboxylate
CID 86595691
7-[2-(4-fluorophenoxy)ethoxy]chromen-2-one
CID 7233626
7-[2-(3,4-dimethylphenoxy)ethoxy]chromen-2-one
CID 2384022
N-[3-[[[2-(2-oxochromen-7-yl)oxyacetyl]amino]methyl]phenyl]-2-pyrazol-1-ylacetamide
CID 55954154

Frequently Asked Questions

What is the IUPAC name of 7-(5-pyrazol-1-ylpentoxy)chromen-2-one?
The IUPAC name of 7-(5-pyrazol-1-ylpentoxy)chromen-2-one (CID 178078577) is 7-(5-pyrazol-1-ylpentoxy)chromen-2-one.
What is the SMILES notation for 7-(5-pyrazol-1-ylpentoxy)chromen-2-one?
The canonical SMILES for 7-(5-pyrazol-1-ylpentoxy)chromen-2-one is O=c1ccc2ccc(OCCCCCn3cccn3)cc2o1.
What is the InChIKey of 7-(5-pyrazol-1-ylpentoxy)chromen-2-one?
The InChIKey is HOIWIFZESVKMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c20-17-8-6-14-5-7-15(13-16(14)22-17)21-12-3-1-2-10-19-11-4-9-18-19/h4-9,11,13H,1-3,10,12H2.
What are the key properties of 7-(5-pyrazol-1-ylpentoxy)chromen-2-one?
7-(5-pyrazol-1-ylpentoxy)chromen-2-one has a molecular weight of 298.34 g/mol, XLogP of 3.24, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-pyrazol-1-ylpentoxy)chromen-2-one is sourced from PubChem (CID 178078577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).