7-hydroxy-2-methyl-3-(1-phenylpyrazol-4-yl)chromen-4-one

C19H14N2O3 — CID 5389254

IUPAC7-hydroxy-2-methyl-3-(1-phenylpyrazol-4-yl)chromen-4-one
SMILESCc1oc2cc(O)ccc2c(=O)c1-c1cnn(-c2ccccc2)c1
InChIInChI=1S/C19H14N2O3/c1-12-18(19(23)16-8-7-15(22)9-17(16)24-12)13-10-20-21(11-13)14-5-3-2-4-6-14/h2-11,22H,1H3
InChIKeyTXNAEPDZQBVYBI-UHFFFAOYSA-N
MW318.33 g/mol
LogP3.66
Rot. Bonds2

About 7-hydroxy-2-methyl-3-(1-phenylpyrazol-4-yl)chromen-4-one

7-hydroxy-2-methyl-3-(1-phenylpyrazol-4-yl)chromen-4-one (PubChem CID 5389254) has the molecular formula C19H14N2O3 and a molecular weight of 318.33 g/mol. Its IUPAC name is 7-hydroxy-2-methyl-3-(1-phenylpyrazol-4-yl)chromen-4-one.

Molecular Properties

Compound Name7-hydroxy-2-methyl-3-(1-phenylpyrazol-4-yl)chromen-4-one
PubChem CID5389254
Molecular FormulaC19H14N2O3
Molecular Weight318.33 g/mol
Exact Mass318.10
IUPAC Name7-hydroxy-2-methyl-3-(1-phenylpyrazol-4-yl)chromen-4-one
SMILESCc1oc2cc(O)ccc2c(=O)c1-c1cnn(-c2ccccc2)c1
InChIInChI=1S/C19H14N2O3/c1-12-18(19(23)16-8-7-15(22)9-17(16)24-12)13-10-20-21(11-13)14-5-3-2-4-6-14/h2-11,22H,1H3
InChIKeyTXNAEPDZQBVYBI-UHFFFAOYSA-N
XLogP3.66
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2-methyl-3-(1-phenylpyrazol-4-yl)chromen-4-one?
The IUPAC name of 7-hydroxy-2-methyl-3-(1-phenylpyrazol-4-yl)chromen-4-one (CID 5389254) is 7-hydroxy-2-methyl-3-(1-phenylpyrazol-4-yl)chromen-4-one.
What is the SMILES notation for 7-hydroxy-2-methyl-3-(1-phenylpyrazol-4-yl)chromen-4-one?
The canonical SMILES for 7-hydroxy-2-methyl-3-(1-phenylpyrazol-4-yl)chromen-4-one is Cc1oc2cc(O)ccc2c(=O)c1-c1cnn(-c2ccccc2)c1.
What is the InChIKey of 7-hydroxy-2-methyl-3-(1-phenylpyrazol-4-yl)chromen-4-one?
The InChIKey is TXNAEPDZQBVYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O3/c1-12-18(19(23)16-8-7-15(22)9-17(16)24-12)13-10-20-21(11-13)14-5-3-2-4-6-14/h2-11,22H,1H3.
What are the key properties of 7-hydroxy-2-methyl-3-(1-phenylpyrazol-4-yl)chromen-4-one?
7-hydroxy-2-methyl-3-(1-phenylpyrazol-4-yl)chromen-4-one has a molecular weight of 318.33 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2-methyl-3-(1-phenylpyrazol-4-yl)chromen-4-one is sourced from PubChem (CID 5389254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).