7-hydroxy-3-(1-phenylpyrazol-4-yl)chromen-4-one

C18H12N2O3 — CID 5407918

IUPAC7-hydroxy-3-(1-phenylpyrazol-4-yl)chromen-4-one
SMILESO=c1c(-c2cnn(-c3ccccc3)c2)coc2cc(O)ccc12
InChIInChI=1S/C18H12N2O3/c21-14-6-7-15-17(8-14)23-11-16(18(15)22)12-9-19-20(10-12)13-4-2-1-3-5-13/h1-11,21H
InChIKeySNBGJFLBMNUDEU-UHFFFAOYSA-N
MW304.31 g/mol
LogP3.35
Rot. Bonds2

About 7-hydroxy-3-(1-phenylpyrazol-4-yl)chromen-4-one

7-hydroxy-3-(1-phenylpyrazol-4-yl)chromen-4-one (PubChem CID 5407918) has the molecular formula C18H12N2O3 and a molecular weight of 304.31 g/mol. Its IUPAC name is 7-hydroxy-3-(1-phenylpyrazol-4-yl)chromen-4-one.

Molecular Properties

Compound Name7-hydroxy-3-(1-phenylpyrazol-4-yl)chromen-4-one
PubChem CID5407918
Molecular FormulaC18H12N2O3
Molecular Weight304.31 g/mol
Exact Mass304.08
IUPAC Name7-hydroxy-3-(1-phenylpyrazol-4-yl)chromen-4-one
SMILESO=c1c(-c2cnn(-c3ccccc3)c2)coc2cc(O)ccc12
InChIInChI=1S/C18H12N2O3/c21-14-6-7-15-17(8-14)23-11-16(18(15)22)12-9-19-20(10-12)13-4-2-1-3-5-13/h1-11,21H
InChIKeySNBGJFLBMNUDEU-UHFFFAOYSA-N
XLogP3.35
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3-(1-phenylpyrazol-4-yl)chromen-4-one?
The IUPAC name of 7-hydroxy-3-(1-phenylpyrazol-4-yl)chromen-4-one (CID 5407918) is 7-hydroxy-3-(1-phenylpyrazol-4-yl)chromen-4-one.
What is the SMILES notation for 7-hydroxy-3-(1-phenylpyrazol-4-yl)chromen-4-one?
The canonical SMILES for 7-hydroxy-3-(1-phenylpyrazol-4-yl)chromen-4-one is O=c1c(-c2cnn(-c3ccccc3)c2)coc2cc(O)ccc12.
What is the InChIKey of 7-hydroxy-3-(1-phenylpyrazol-4-yl)chromen-4-one?
The InChIKey is SNBGJFLBMNUDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O3/c21-14-6-7-15-17(8-14)23-11-16(18(15)22)12-9-19-20(10-12)13-4-2-1-3-5-13/h1-11,21H.
What are the key properties of 7-hydroxy-3-(1-phenylpyrazol-4-yl)chromen-4-one?
7-hydroxy-3-(1-phenylpyrazol-4-yl)chromen-4-one has a molecular weight of 304.31 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-(1-phenylpyrazol-4-yl)chromen-4-one is sourced from PubChem (CID 5407918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).