7-hydroxy-2,5-dimethyl-3-(1-phenylpyrazol-4-yl)chromen-4-one

C20H16N2O3 — CID 5389030

IUPAC7-hydroxy-2,5-dimethyl-3-(1-phenylpyrazol-4-yl)chromen-4-one
SMILESCc1oc2cc(O)cc(C)c2c(=O)c1-c1cnn(-c2ccccc2)c1
InChIInChI=1S/C20H16N2O3/c1-12-8-16(23)9-17-18(12)20(24)19(13(2)25-17)14-10-21-22(11-14)15-6-4-3-5-7-15/h3-11,23H,1-2H3
InChIKeyXKMLBTUHJWBHIF-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.97
Rot. Bonds2

About 7-hydroxy-2,5-dimethyl-3-(1-phenylpyrazol-4-yl)chromen-4-one

7-hydroxy-2,5-dimethyl-3-(1-phenylpyrazol-4-yl)chromen-4-one (PubChem CID 5389030) has the molecular formula C20H16N2O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is 7-hydroxy-2,5-dimethyl-3-(1-phenylpyrazol-4-yl)chromen-4-one.

Molecular Properties

Compound Name7-hydroxy-2,5-dimethyl-3-(1-phenylpyrazol-4-yl)chromen-4-one
PubChem CID5389030
Molecular FormulaC20H16N2O3
Molecular Weight332.36 g/mol
Exact Mass332.12
IUPAC Name7-hydroxy-2,5-dimethyl-3-(1-phenylpyrazol-4-yl)chromen-4-one
SMILESCc1oc2cc(O)cc(C)c2c(=O)c1-c1cnn(-c2ccccc2)c1
InChIInChI=1S/C20H16N2O3/c1-12-8-16(23)9-17-18(12)20(24)19(13(2)25-17)14-10-21-22(11-14)15-6-4-3-5-7-15/h3-11,23H,1-2H3
InChIKeyXKMLBTUHJWBHIF-UHFFFAOYSA-N
XLogP3.97
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-phenyl-1H-pyrazol-4-yl)-1-(2,3,4-trihydroxyphenyl)ethanone
CID 805519
7-Hydroxy-3-(1-phenyl-1H-pyrazol-4-yl)-chromen-4-one
CID 5407918
1-(2,4-dihydroxy-6-methylphenyl)-2-(1-phenyl-1H-pyrazol-4-yl)ethanone
CID 692802
3-(2-fluorophenoxy)-2-methyl-7-[(1-phenyl-1H-pyrazol-4-yl)methoxy]-4H-chromen-4-one
CID 980571
7,8-dihydroxy-2-methyl-3-(1-phenyl-1H-pyrazol-4-yl)-4H-chromen-4-one
CID 5310850
1-(2-hydroxy-4-methoxyphenyl)-2-(1-phenyl-1H-pyrazol-4-yl)ethanone
CID 692803
7-methoxy-2-methyl-3-(1-phenyl-1H-pyrazol-4-yl)-4H-chromen-4-one
CID 786636
1-(5-ethyl-2,4-dihydroxyphenyl)-2-(1-phenyl-1H-pyrazol-4-yl)ethanone
CID 886358
8-[(dimethylamino)methyl]-6-ethyl-7-hydroxy-3-(1-phenyl-1H-pyrazol-4-yl)-2-(trifluoromethyl)-4H-chromen-4-one
CID 1324165
methyl 4-({4-oxo-7-[(1-phenyl-1H-pyrazol-4-yl)methoxy]-4H-chromen-3-yl}oxy)benzoate
CID 1325433
6-ethyl-7-hydroxy-2-methyl-3-(1-phenyl-1H-pyrazol-4-yl)-8-(piperidin-1-ylmethyl)-4H-chromen-4-one
CID 1337533
6-ethyl-7-hydroxy-8-(morpholin-4-ylmethyl)-3-(1-phenyl-1H-pyrazol-4-yl)-4H-chromen-4-one
CID 3242993

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2,5-dimethyl-3-(1-phenylpyrazol-4-yl)chromen-4-one?
The IUPAC name of 7-hydroxy-2,5-dimethyl-3-(1-phenylpyrazol-4-yl)chromen-4-one (CID 5389030) is 7-hydroxy-2,5-dimethyl-3-(1-phenylpyrazol-4-yl)chromen-4-one.
What is the SMILES notation for 7-hydroxy-2,5-dimethyl-3-(1-phenylpyrazol-4-yl)chromen-4-one?
The canonical SMILES for 7-hydroxy-2,5-dimethyl-3-(1-phenylpyrazol-4-yl)chromen-4-one is Cc1oc2cc(O)cc(C)c2c(=O)c1-c1cnn(-c2ccccc2)c1.
What is the InChIKey of 7-hydroxy-2,5-dimethyl-3-(1-phenylpyrazol-4-yl)chromen-4-one?
The InChIKey is XKMLBTUHJWBHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3/c1-12-8-16(23)9-17-18(12)20(24)19(13(2)25-17)14-10-21-22(11-14)15-6-4-3-5-7-15/h3-11,23H,1-2H3.
What are the key properties of 7-hydroxy-2,5-dimethyl-3-(1-phenylpyrazol-4-yl)chromen-4-one?
7-hydroxy-2,5-dimethyl-3-(1-phenylpyrazol-4-yl)chromen-4-one has a molecular weight of 332.36 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2,5-dimethyl-3-(1-phenylpyrazol-4-yl)chromen-4-one is sourced from PubChem (CID 5389030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).