2-(3,4-dichlorophenyl)-5-pyridin-3-yl-1H-pyrazol-3-one

C14H9Cl2N3O — CID 58784833

IUPAC2-(3,4-dichlorophenyl)-5-pyridin-3-yl-1H-pyrazol-3-one
SMILESO=c1cc(-c2cccnc2)[nH]n1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H9Cl2N3O/c15-11-4-3-10(6-12(11)16)19-14(20)7-13(18-19)9-2-1-5-17-8-9/h1-8,18H
InChIKeySWHKTJXCNPEORQ-UHFFFAOYSA-N
MW306.15 g/mol
LogP3.53
Rot. Bonds2

About 2-(3,4-dichlorophenyl)-5-pyridin-3-yl-1H-pyrazol-3-one

2-(3,4-dichlorophenyl)-5-pyridin-3-yl-1H-pyrazol-3-one (PubChem CID 58784833) has the molecular formula C14H9Cl2N3O and a molecular weight of 306.15 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-5-pyridin-3-yl-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-5-pyridin-3-yl-1H-pyrazol-3-one
PubChem CID58784833
Molecular FormulaC14H9Cl2N3O
Molecular Weight306.15 g/mol
Exact Mass305.01
IUPAC Name2-(3,4-dichlorophenyl)-5-pyridin-3-yl-1H-pyrazol-3-one
SMILESO=c1cc(-c2cccnc2)[nH]n1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H9Cl2N3O/c15-11-4-3-10(6-12(11)16)19-14(20)7-13(18-19)9-2-1-5-17-8-9/h1-8,18H
InChIKeySWHKTJXCNPEORQ-UHFFFAOYSA-N
XLogP3.53
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.15
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-5-pyridin-3-yl-1H-pyrazol-3-one?
The IUPAC name of 2-(3,4-dichlorophenyl)-5-pyridin-3-yl-1H-pyrazol-3-one (CID 58784833) is 2-(3,4-dichlorophenyl)-5-pyridin-3-yl-1H-pyrazol-3-one.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-5-pyridin-3-yl-1H-pyrazol-3-one?
The canonical SMILES for 2-(3,4-dichlorophenyl)-5-pyridin-3-yl-1H-pyrazol-3-one is O=c1cc(-c2cccnc2)[nH]n1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-5-pyridin-3-yl-1H-pyrazol-3-one?
The InChIKey is SWHKTJXCNPEORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3O/c15-11-4-3-10(6-12(11)16)19-14(20)7-13(18-19)9-2-1-5-17-8-9/h1-8,18H.
What are the key properties of 2-(3,4-dichlorophenyl)-5-pyridin-3-yl-1H-pyrazol-3-one?
2-(3,4-dichlorophenyl)-5-pyridin-3-yl-1H-pyrazol-3-one has a molecular weight of 306.15 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-5-pyridin-3-yl-1H-pyrazol-3-one is sourced from PubChem (CID 58784833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).