2-(4-hydroxyphenyl)-4-methyl-5-pyridin-3-yl-4H-pyrazol-3-one

C15H13N3O2 — CID 19909723

IUPAC2-(4-hydroxyphenyl)-4-methyl-5-pyridin-3-yl-4H-pyrazol-3-one
SMILESCC1C(=O)N(c2ccc(O)cc2)N=C1c1cccnc1
InChIInChI=1S/C15H13N3O2/c1-10-14(11-3-2-8-16-9-11)17-18(15(10)20)12-4-6-13(19)7-5-12/h2-10,19H,1H3
InChIKeyXLHFVRREWCZDNK-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.17
Rot. Bonds2

About 2-(4-hydroxyphenyl)-4-methyl-5-pyridin-3-yl-4H-pyrazol-3-one

2-(4-hydroxyphenyl)-4-methyl-5-pyridin-3-yl-4H-pyrazol-3-one (PubChem CID 19909723) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-4-methyl-5-pyridin-3-yl-4H-pyrazol-3-one.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-4-methyl-5-pyridin-3-yl-4H-pyrazol-3-one
PubChem CID19909723
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name2-(4-hydroxyphenyl)-4-methyl-5-pyridin-3-yl-4H-pyrazol-3-one
SMILESCC1C(=O)N(c2ccc(O)cc2)N=C1c1cccnc1
InChIInChI=1S/C15H13N3O2/c1-10-14(11-3-2-8-16-9-11)17-18(15(10)20)12-4-6-13(19)7-5-12/h2-10,19H,1H3
InChIKeyXLHFVRREWCZDNK-UHFFFAOYSA-N
XLogP2.17
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-4-methyl-5-pyridin-3-yl-4H-pyrazol-3-one?
The IUPAC name of 2-(4-hydroxyphenyl)-4-methyl-5-pyridin-3-yl-4H-pyrazol-3-one (CID 19909723) is 2-(4-hydroxyphenyl)-4-methyl-5-pyridin-3-yl-4H-pyrazol-3-one.
What is the SMILES notation for 2-(4-hydroxyphenyl)-4-methyl-5-pyridin-3-yl-4H-pyrazol-3-one?
The canonical SMILES for 2-(4-hydroxyphenyl)-4-methyl-5-pyridin-3-yl-4H-pyrazol-3-one is CC1C(=O)N(c2ccc(O)cc2)N=C1c1cccnc1.
What is the InChIKey of 2-(4-hydroxyphenyl)-4-methyl-5-pyridin-3-yl-4H-pyrazol-3-one?
The InChIKey is XLHFVRREWCZDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-10-14(11-3-2-8-16-9-11)17-18(15(10)20)12-4-6-13(19)7-5-12/h2-10,19H,1H3.
What are the key properties of 2-(4-hydroxyphenyl)-4-methyl-5-pyridin-3-yl-4H-pyrazol-3-one?
2-(4-hydroxyphenyl)-4-methyl-5-pyridin-3-yl-4H-pyrazol-3-one has a molecular weight of 267.29 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-4-methyl-5-pyridin-3-yl-4H-pyrazol-3-one is sourced from PubChem (CID 19909723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).