7-(1H-pyrazol-5-yl)-2,3-dihydrochromen-4-one

C12H10N2O2 — CID 56717088

IUPAC7-(1H-pyrazol-5-yl)-2,3-dihydrochromen-4-one
SMILESO=C1CCOc2cc(-c3ccn[nH]3)ccc21
InChIInChI=1S/C12H10N2O2/c15-11-4-6-16-12-7-8(1-2-9(11)12)10-3-5-13-14-10/h1-3,5,7H,4,6H2,(H,13,14)
InChIKeyRJCRVMZPTDKTEV-UHFFFAOYSA-N
MW214.22 g/mol
LogP2.04
Rot. Bonds1

About 7-(1H-pyrazol-5-yl)-2,3-dihydrochromen-4-one

7-(1H-pyrazol-5-yl)-2,3-dihydrochromen-4-one (PubChem CID 56717088) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 7-(1H-pyrazol-5-yl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name7-(1H-pyrazol-5-yl)-2,3-dihydrochromen-4-one
PubChem CID56717088
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name7-(1H-pyrazol-5-yl)-2,3-dihydrochromen-4-one
SMILESO=C1CCOc2cc(-c3ccn[nH]3)ccc21
InChIInChI=1S/C12H10N2O2/c15-11-4-6-16-12-7-8(1-2-9(11)12)10-3-5-13-14-10/h1-3,5,7H,4,6H2,(H,13,14)
InChIKeyRJCRVMZPTDKTEV-UHFFFAOYSA-N
XLogP2.04
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(1H-pyrazol-5-yl)-2,3-dihydrochromen-4-one?
The IUPAC name of 7-(1H-pyrazol-5-yl)-2,3-dihydrochromen-4-one (CID 56717088) is 7-(1H-pyrazol-5-yl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for 7-(1H-pyrazol-5-yl)-2,3-dihydrochromen-4-one?
The canonical SMILES for 7-(1H-pyrazol-5-yl)-2,3-dihydrochromen-4-one is O=C1CCOc2cc(-c3ccn[nH]3)ccc21.
What is the InChIKey of 7-(1H-pyrazol-5-yl)-2,3-dihydrochromen-4-one?
The InChIKey is RJCRVMZPTDKTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c15-11-4-6-16-12-7-8(1-2-9(11)12)10-3-5-13-14-10/h1-3,5,7H,4,6H2,(H,13,14).
What are the key properties of 7-(1H-pyrazol-5-yl)-2,3-dihydrochromen-4-one?
7-(1H-pyrazol-5-yl)-2,3-dihydrochromen-4-one has a molecular weight of 214.22 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1H-pyrazol-5-yl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 56717088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).