3-[3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]-7-hydroxychromen-4-one

C24H15ClN2O3 — CID 25023617

IUPAC3-[3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]-7-hydroxychromen-4-one
SMILESO=c1c(-c2cc(-c3ccc(Cl)cc3)nn2-c2ccccc2)coc2cc(O)ccc12
InChIInChI=1S/C24H15ClN2O3/c25-16-8-6-15(7-9-16)21-13-22(27(26-21)17-4-2-1-3-5-17)20-14-30-23-12-18(28)10-11-19(23)24(20)29/h1-14,28H
InChIKeyLAZMXQDWWXWDEM-UHFFFAOYSA-N
MW414.85 g/mol
LogP5.67
Rot. Bonds3

About 3-[3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]-7-hydroxychromen-4-one

3-[3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]-7-hydroxychromen-4-one (PubChem CID 25023617) has the molecular formula C24H15ClN2O3 and a molecular weight of 414.85 g/mol. Its IUPAC name is 3-[3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]-7-hydroxychromen-4-one.

Molecular Properties

Compound Name3-[3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]-7-hydroxychromen-4-one
PubChem CID25023617
Molecular FormulaC24H15ClN2O3
Molecular Weight414.85 g/mol
Exact Mass414.08
IUPAC Name3-[3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]-7-hydroxychromen-4-one
SMILESO=c1c(-c2cc(-c3ccc(Cl)cc3)nn2-c2ccccc2)coc2cc(O)ccc12
InChIInChI=1S/C24H15ClN2O3/c25-16-8-6-15(7-9-16)21-13-22(27(26-21)17-4-2-1-3-5-17)20-14-30-23-12-18(28)10-11-19(23)24(20)29/h1-14,28H
InChIKeyLAZMXQDWWXWDEM-UHFFFAOYSA-N
XLogP5.67
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.85
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]-7-hydroxychromen-4-one?
The IUPAC name of 3-[3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]-7-hydroxychromen-4-one (CID 25023617) is 3-[3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]-7-hydroxychromen-4-one.
What is the SMILES notation for 3-[3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]-7-hydroxychromen-4-one?
The canonical SMILES for 3-[3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]-7-hydroxychromen-4-one is O=c1c(-c2cc(-c3ccc(Cl)cc3)nn2-c2ccccc2)coc2cc(O)ccc12.
What is the InChIKey of 3-[3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]-7-hydroxychromen-4-one?
The InChIKey is LAZMXQDWWXWDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15ClN2O3/c25-16-8-6-15(7-9-16)21-13-22(27(26-21)17-4-2-1-3-5-17)20-14-30-23-12-18(28)10-11-19(23)24(20)29/h1-14,28H.
What are the key properties of 3-[3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]-7-hydroxychromen-4-one?
3-[3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]-7-hydroxychromen-4-one has a molecular weight of 414.85 g/mol, XLogP of 5.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]-7-hydroxychromen-4-one is sourced from PubChem (CID 25023617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).