2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-hydroxychromen-4-one

C24H15FN2O3 — CID 24813551

IUPAC2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-hydroxychromen-4-one
SMILESO=c1c(O)c(-c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)oc2ccccc12
InChIInChI=1S/C24H15FN2O3/c25-16-12-10-15(11-13-16)21-19(14-27(26-21)17-6-2-1-3-7-17)24-23(29)22(28)18-8-4-5-9-20(18)30-24/h1-14,29H
InChIKeyOEKRXVODEXZIOD-UHFFFAOYSA-N
MW398.39 g/mol
LogP5.16
Rot. Bonds3

About 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-hydroxychromen-4-one

2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-hydroxychromen-4-one (PubChem CID 24813551) has the molecular formula C24H15FN2O3 and a molecular weight of 398.39 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-hydroxychromen-4-one.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-hydroxychromen-4-one
PubChem CID24813551
Molecular FormulaC24H15FN2O3
Molecular Weight398.39 g/mol
Exact Mass398.11
IUPAC Name2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-hydroxychromen-4-one
SMILESO=c1c(O)c(-c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)oc2ccccc12
InChIInChI=1S/C24H15FN2O3/c25-16-12-10-15(11-13-16)21-19(14-27(26-21)17-6-2-1-3-7-17)24-23(29)22(28)18-8-4-5-9-20(18)30-24/h1-14,29H
InChIKeyOEKRXVODEXZIOD-UHFFFAOYSA-N
XLogP5.16
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.39
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-Fluoro-2-hydroxyphenyl)(1-phenyl-1H-pyrazol-4-yl)methanone
CID 854139
(2-Hydroxy-5-methoxyphenyl)(1-phenyl-1H-pyrazol-4-yl)methanone
CID 2414358
3-(2-fluorophenoxy)-2-methyl-7-[(1-phenyl-1H-pyrazol-4-yl)methoxy]-4H-chromen-4-one
CID 980571
2-(1-phenyl-1H-pyrazole-4-carbonyl)phenoxyacetic acid
CID 44417459
4-fluoro-2-(1-phenyl-1H-pyrazole-4-carbonyl)phenoxyacetic acid
CID 44417460
3-(1-phenyl-1H-pyrazole-4-carbonyl)biphenyl-4-yloxyacetic acid
CID 44417467
[3',5'-difluoro-3-(1-phenyl-1H-pyrazole-4-carbonyl)biphenyl-4-yloxy]acetic acid
CID 44417474
3-[3-(2-oxo-2H-chromen-3-yl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enoic acid
CID 1223218
methyl 4-({4-oxo-7-[(1-phenyl-1H-pyrazol-4-yl)methoxy]-4H-chromen-3-yl}oxy)benzoate
CID 1325433
(2-hydroxyphenyl)[1-(4-methoxyphenyl)-1H-pyrazol-4-yl]methanone
CID 1481827
N-(4-ethylphenyl)-2-[4-fluoro-2-(1-phenylpyrazole-4-carbonyl)phenoxy]acetamide
CID 2398145
3-(4-fluorophenyl)-N-[(E)-(4-oxochromen-3-yl)methylideneamino]-1-phenylpyrazole-4-carboxamide
CID 6900126

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-hydroxychromen-4-one?
The IUPAC name of 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-hydroxychromen-4-one (CID 24813551) is 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-hydroxychromen-4-one.
What is the SMILES notation for 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-hydroxychromen-4-one?
The canonical SMILES for 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-hydroxychromen-4-one is O=c1c(O)c(-c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)oc2ccccc12.
What is the InChIKey of 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-hydroxychromen-4-one?
The InChIKey is OEKRXVODEXZIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15FN2O3/c25-16-12-10-15(11-13-16)21-19(14-27(26-21)17-6-2-1-3-7-17)24-23(29)22(28)18-8-4-5-9-20(18)30-24/h1-14,29H.
What are the key properties of 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-hydroxychromen-4-one?
2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-hydroxychromen-4-one has a molecular weight of 398.39 g/mol, XLogP of 5.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-hydroxychromen-4-one is sourced from PubChem (CID 24813551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).