2-(1H-pyrazol-5-yl)chromen-4-one

C12H8N2O2 — CID 54055601

IUPAC2-(1H-pyrazol-5-yl)chromen-4-one
SMILESO=c1cc(-c2ccn[nH]2)oc2ccccc12
InChIInChI=1S/C12H8N2O2/c15-10-7-12(9-5-6-13-14-9)16-11-4-2-1-3-8(10)11/h1-7H,(H,13,14)
InChIKeyLWAISILEKXEBNH-UHFFFAOYSA-N
MW212.21 g/mol
LogP2.18
Rot. Bonds1

About 2-(1H-pyrazol-5-yl)chromen-4-one

2-(1H-pyrazol-5-yl)chromen-4-one (PubChem CID 54055601) has the molecular formula C12H8N2O2 and a molecular weight of 212.21 g/mol. Its IUPAC name is 2-(1H-pyrazol-5-yl)chromen-4-one.

Molecular Properties

Compound Name2-(1H-pyrazol-5-yl)chromen-4-one
PubChem CID54055601
Molecular FormulaC12H8N2O2
Molecular Weight212.21 g/mol
Exact Mass212.06
IUPAC Name2-(1H-pyrazol-5-yl)chromen-4-one
SMILESO=c1cc(-c2ccn[nH]2)oc2ccccc12
InChIInChI=1S/C12H8N2O2/c15-10-7-12(9-5-6-13-14-9)16-11-4-2-1-3-8(10)11/h1-7H,(H,13,14)
InChIKeyLWAISILEKXEBNH-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

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrazol-5-yl)chromen-4-one?
The IUPAC name of 2-(1H-pyrazol-5-yl)chromen-4-one (CID 54055601) is 2-(1H-pyrazol-5-yl)chromen-4-one.
What is the SMILES notation for 2-(1H-pyrazol-5-yl)chromen-4-one?
The canonical SMILES for 2-(1H-pyrazol-5-yl)chromen-4-one is O=c1cc(-c2ccn[nH]2)oc2ccccc12.
What is the InChIKey of 2-(1H-pyrazol-5-yl)chromen-4-one?
The InChIKey is LWAISILEKXEBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O2/c15-10-7-12(9-5-6-13-14-9)16-11-4-2-1-3-8(10)11/h1-7H,(H,13,14).
What are the key properties of 2-(1H-pyrazol-5-yl)chromen-4-one?
2-(1H-pyrazol-5-yl)chromen-4-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 2-(1H-pyrazol-5-yl)chromen-4-one is sourced from PubChem (CID 54055601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).