5-(3-bromophenyl)-2-pyridin-2-yl-1H-pyrazol-3-one

C14H10BrN3O — CID 51038398

IUPAC5-(3-bromophenyl)-2-pyridin-2-yl-1H-pyrazol-3-one
SMILESO=c1cc(-c2cccc(Br)c2)[nH]n1-c1ccccn1
InChIInChI=1S/C14H10BrN3O/c15-11-5-3-4-10(8-11)12-9-14(19)18(17-12)13-6-1-2-7-16-13/h1-9,17H
InChIKeyNXLTUXWFXCJCTQ-UHFFFAOYSA-N
MW316.16 g/mol
LogP2.99
Rot. Bonds2

About 5-(3-bromophenyl)-2-pyridin-2-yl-1H-pyrazol-3-one

5-(3-bromophenyl)-2-pyridin-2-yl-1H-pyrazol-3-one (PubChem CID 51038398) has the molecular formula C14H10BrN3O and a molecular weight of 316.16 g/mol. Its IUPAC name is 5-(3-bromophenyl)-2-pyridin-2-yl-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-(3-bromophenyl)-2-pyridin-2-yl-1H-pyrazol-3-one
PubChem CID51038398
Molecular FormulaC14H10BrN3O
Molecular Weight316.16 g/mol
Exact Mass315.00
IUPAC Name5-(3-bromophenyl)-2-pyridin-2-yl-1H-pyrazol-3-one
SMILESO=c1cc(-c2cccc(Br)c2)[nH]n1-c1ccccn1
InChIInChI=1S/C14H10BrN3O/c15-11-5-3-4-10(8-11)12-9-14(19)18(17-12)13-6-1-2-7-16-13/h1-9,17H
InChIKeyNXLTUXWFXCJCTQ-UHFFFAOYSA-N
XLogP2.99
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.16
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-2-pyridin-2-yl-1H-pyrazol-3-one?
The IUPAC name of 5-(3-bromophenyl)-2-pyridin-2-yl-1H-pyrazol-3-one (CID 51038398) is 5-(3-bromophenyl)-2-pyridin-2-yl-1H-pyrazol-3-one.
What is the SMILES notation for 5-(3-bromophenyl)-2-pyridin-2-yl-1H-pyrazol-3-one?
The canonical SMILES for 5-(3-bromophenyl)-2-pyridin-2-yl-1H-pyrazol-3-one is O=c1cc(-c2cccc(Br)c2)[nH]n1-c1ccccn1.
What is the InChIKey of 5-(3-bromophenyl)-2-pyridin-2-yl-1H-pyrazol-3-one?
The InChIKey is NXLTUXWFXCJCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O/c15-11-5-3-4-10(8-11)12-9-14(19)18(17-12)13-6-1-2-7-16-13/h1-9,17H.
What are the key properties of 5-(3-bromophenyl)-2-pyridin-2-yl-1H-pyrazol-3-one?
5-(3-bromophenyl)-2-pyridin-2-yl-1H-pyrazol-3-one has a molecular weight of 316.16 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-2-pyridin-2-yl-1H-pyrazol-3-one is sourced from PubChem (CID 51038398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).