3-[3-(4-hydroxyphenyl)-1-(pyridine-4-carbonyl)pyrazol-5-yl]chromen-2-one

C24H15N3O4 — CID 135870730

IUPAC3-[3-(4-hydroxyphenyl)-1-(pyridine-4-carbonyl)pyrazol-5-yl]chromen-2-one
SMILESO=C(c1ccncc1)n1nc(-c2ccc(O)cc2)cc1-c1cc2ccccc2oc1=O
InChIInChI=1S/C24H15N3O4/c28-18-7-5-15(6-8-18)20-14-21(27(26-20)23(29)16-9-11-25-12-10-16)19-13-17-3-1-2-4-22(17)31-24(19)30/h1-14,28H
InChIKeyTYVZUNOHYWUORN-UHFFFAOYSA-N
MW409.40 g/mol
LogP4.11
Rot. Bonds3

About 3-[3-(4-hydroxyphenyl)-1-(pyridine-4-carbonyl)pyrazol-5-yl]chromen-2-one

3-[3-(4-hydroxyphenyl)-1-(pyridine-4-carbonyl)pyrazol-5-yl]chromen-2-one (PubChem CID 135870730) has the molecular formula C24H15N3O4 and a molecular weight of 409.40 g/mol. Its IUPAC name is 3-[3-(4-hydroxyphenyl)-1-(pyridine-4-carbonyl)pyrazol-5-yl]chromen-2-one.

Molecular Properties

Compound Name3-[3-(4-hydroxyphenyl)-1-(pyridine-4-carbonyl)pyrazol-5-yl]chromen-2-one
PubChem CID135870730
Molecular FormulaC24H15N3O4
Molecular Weight409.40 g/mol
Exact Mass409.11
IUPAC Name3-[3-(4-hydroxyphenyl)-1-(pyridine-4-carbonyl)pyrazol-5-yl]chromen-2-one
SMILESO=C(c1ccncc1)n1nc(-c2ccc(O)cc2)cc1-c1cc2ccccc2oc1=O
InChIInChI=1S/C24H15N3O4/c28-18-7-5-15(6-8-18)20-14-21(27(26-20)23(29)16-9-11-25-12-10-16)19-13-17-3-1-2-4-22(17)31-24(19)30/h1-14,28H
InChIKeyTYVZUNOHYWUORN-UHFFFAOYSA-N
XLogP4.11
TPSA98.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.40
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-hydroxyphenyl)-1-(pyridine-4-carbonyl)pyrazol-5-yl]chromen-2-one?
The IUPAC name of 3-[3-(4-hydroxyphenyl)-1-(pyridine-4-carbonyl)pyrazol-5-yl]chromen-2-one (CID 135870730) is 3-[3-(4-hydroxyphenyl)-1-(pyridine-4-carbonyl)pyrazol-5-yl]chromen-2-one.
What is the SMILES notation for 3-[3-(4-hydroxyphenyl)-1-(pyridine-4-carbonyl)pyrazol-5-yl]chromen-2-one?
The canonical SMILES for 3-[3-(4-hydroxyphenyl)-1-(pyridine-4-carbonyl)pyrazol-5-yl]chromen-2-one is O=C(c1ccncc1)n1nc(-c2ccc(O)cc2)cc1-c1cc2ccccc2oc1=O.
What is the InChIKey of 3-[3-(4-hydroxyphenyl)-1-(pyridine-4-carbonyl)pyrazol-5-yl]chromen-2-one?
The InChIKey is TYVZUNOHYWUORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15N3O4/c28-18-7-5-15(6-8-18)20-14-21(27(26-20)23(29)16-9-11-25-12-10-16)19-13-17-3-1-2-4-22(17)31-24(19)30/h1-14,28H.
What are the key properties of 3-[3-(4-hydroxyphenyl)-1-(pyridine-4-carbonyl)pyrazol-5-yl]chromen-2-one?
3-[3-(4-hydroxyphenyl)-1-(pyridine-4-carbonyl)pyrazol-5-yl]chromen-2-one has a molecular weight of 409.40 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-hydroxyphenyl)-1-(pyridine-4-carbonyl)pyrazol-5-yl]chromen-2-one is sourced from PubChem (CID 135870730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).