3-pyrazol-1-ylchromen-4-one

C12H8N2O2 — CID 56996312

IUPAC3-pyrazol-1-ylchromen-4-one
SMILESO=c1c(-n2cccn2)coc2ccccc12
InChIInChI=1S/C12H8N2O2/c15-12-9-4-1-2-5-11(9)16-8-10(12)14-7-3-6-13-14/h1-8H
InChIKeyKDMYOUDUYOBIET-UHFFFAOYSA-N
MW212.21 g/mol
LogP1.98
Rot. Bonds1

About 3-pyrazol-1-ylchromen-4-one

3-pyrazol-1-ylchromen-4-one (PubChem CID 56996312) has the molecular formula C12H8N2O2 and a molecular weight of 212.21 g/mol. Its IUPAC name is 3-pyrazol-1-ylchromen-4-one.

Molecular Properties

Compound Name3-pyrazol-1-ylchromen-4-one
PubChem CID56996312
Molecular FormulaC12H8N2O2
Molecular Weight212.21 g/mol
Exact Mass212.06
IUPAC Name3-pyrazol-1-ylchromen-4-one
SMILESO=c1c(-n2cccn2)coc2ccccc12
InChIInChI=1S/C12H8N2O2/c15-12-9-4-1-2-5-11(9)16-8-10(12)14-7-3-6-13-14/h1-8H
InChIKeyKDMYOUDUYOBIET-UHFFFAOYSA-N
XLogP1.98
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-pyrazol-1-ylchromen-4-one?
The IUPAC name of 3-pyrazol-1-ylchromen-4-one (CID 56996312) is 3-pyrazol-1-ylchromen-4-one.
What is the SMILES notation for 3-pyrazol-1-ylchromen-4-one?
The canonical SMILES for 3-pyrazol-1-ylchromen-4-one is O=c1c(-n2cccn2)coc2ccccc12.
What is the InChIKey of 3-pyrazol-1-ylchromen-4-one?
The InChIKey is KDMYOUDUYOBIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O2/c15-12-9-4-1-2-5-11(9)16-8-10(12)14-7-3-6-13-14/h1-8H.
What are the key properties of 3-pyrazol-1-ylchromen-4-one?
3-pyrazol-1-ylchromen-4-one has a molecular weight of 212.21 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrazol-1-ylchromen-4-one is sourced from PubChem (CID 56996312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).