3-(1H-pyrazol-5-yl)chromen-2-one

C12H8N2O2 — CID 2815803

IUPAC3-(1H-pyrazol-5-yl)chromen-2-one
SMILESO=c1oc2ccccc2cc1-c1ccn[nH]1
InChIInChI=1S/C12H8N2O2/c15-12-9(10-5-6-13-14-10)7-8-3-1-2-4-11(8)16-12/h1-7H,(H,13,14)
InChIKeyGOSYBLSXZJVECV-UHFFFAOYSA-N
MW212.21 g/mol
LogP2.18
Rot. Bonds1

About 3-(1H-pyrazol-5-yl)chromen-2-one

3-(1H-pyrazol-5-yl)chromen-2-one (PubChem CID 2815803) has the molecular formula C12H8N2O2 and a molecular weight of 212.21 g/mol. Its IUPAC name is 3-(1H-pyrazol-5-yl)chromen-2-one.

Molecular Properties

Compound Name3-(1H-pyrazol-5-yl)chromen-2-one
PubChem CID2815803
Molecular FormulaC12H8N2O2
Molecular Weight212.21 g/mol
Exact Mass212.06
IUPAC Name3-(1H-pyrazol-5-yl)chromen-2-one
SMILESO=c1oc2ccccc2cc1-c1ccn[nH]1
InChIInChI=1S/C12H8N2O2/c15-12-9(10-5-6-13-14-10)7-8-3-1-2-4-11(8)16-12/h1-7H,(H,13,14)
InChIKeyGOSYBLSXZJVECV-UHFFFAOYSA-N
XLogP2.18
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrazol-5-yl)chromen-2-one?
The IUPAC name of 3-(1H-pyrazol-5-yl)chromen-2-one (CID 2815803) is 3-(1H-pyrazol-5-yl)chromen-2-one.
What is the SMILES notation for 3-(1H-pyrazol-5-yl)chromen-2-one?
The canonical SMILES for 3-(1H-pyrazol-5-yl)chromen-2-one is O=c1oc2ccccc2cc1-c1ccn[nH]1.
What is the InChIKey of 3-(1H-pyrazol-5-yl)chromen-2-one?
The InChIKey is GOSYBLSXZJVECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O2/c15-12-9(10-5-6-13-14-10)7-8-3-1-2-4-11(8)16-12/h1-7H,(H,13,14).
What are the key properties of 3-(1H-pyrazol-5-yl)chromen-2-one?
3-(1H-pyrazol-5-yl)chromen-2-one has a molecular weight of 212.21 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrazol-5-yl)chromen-2-one is sourced from PubChem (CID 2815803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).