1-[3-(3-pyridin-3-yl-1H-pyrazol-5-yl)phenyl]ethanone

C16H13N3O — CID 141253759

IUPAC1-[3-(3-pyridin-3-yl-1H-pyrazol-5-yl)phenyl]ethanone
SMILESCC(=O)c1cccc(-c2cc(-c3cccnc3)n[nH]2)c1
InChIInChI=1S/C16H13N3O/c1-11(20)12-4-2-5-13(8-12)15-9-16(19-18-15)14-6-3-7-17-10-14/h2-10H,1H3,(H,18,19)
InChIKeyDVDIANFPDDLGFK-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.34
Rot. Bonds3

About 1-[3-(3-pyridin-3-yl-1H-pyrazol-5-yl)phenyl]ethanone

1-[3-(3-pyridin-3-yl-1H-pyrazol-5-yl)phenyl]ethanone (PubChem CID 141253759) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-[3-(3-pyridin-3-yl-1H-pyrazol-5-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-(3-pyridin-3-yl-1H-pyrazol-5-yl)phenyl]ethanone
PubChem CID141253759
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name1-[3-(3-pyridin-3-yl-1H-pyrazol-5-yl)phenyl]ethanone
SMILESCC(=O)c1cccc(-c2cc(-c3cccnc3)n[nH]2)c1
InChIInChI=1S/C16H13N3O/c1-11(20)12-4-2-5-13(8-12)15-9-16(19-18-15)14-6-3-7-17-10-14/h2-10H,1H3,(H,18,19)
InChIKeyDVDIANFPDDLGFK-UHFFFAOYSA-N
XLogP3.34
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-[3-(3-pyridin-3-yl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]pyridine;4-[3-[3-(5-pyridin-4-yl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-5-yl]pyridine
CID 144664737
1-[3-(3-pyridin-3-yl-1,2-oxazol-5-yl)phenyl]ethanone
CID 44546286
1-(5-pyridin-3-yl-3-pyridinyl)ethanone
CID 20802831
1-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]ethanone
CID 155037922
N-(5-pyridin-3-yl-1H-pyrazol-3-yl)acetamide
CID 137321038
4-(3-acetylphenyl)pyridine-3-carboxylic acid
CID 53229293
N-[3-(5-methyl-1H-pyrazol-3-yl)phenyl]pyridine-3-carboxamide
CID 110732494
1-(4-fluoro-3-pyridin-3-ylphenyl)ethanone
CID 82541383
1-[3-(2-methyl-1H-imidazol-5-yl)phenyl]ethanone
CID 39805487
1-pyridin-3-ylethanone;hydrochloride
CID 69233376
3-pyridin-3-ylbenzoic acid
CID 2795575
1-[3-(1H-pyrazol-4-yl)phenyl]ethanone
CID 121358272

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-pyridin-3-yl-1H-pyrazol-5-yl)phenyl]ethanone?
The IUPAC name of 1-[3-(3-pyridin-3-yl-1H-pyrazol-5-yl)phenyl]ethanone (CID 141253759) is 1-[3-(3-pyridin-3-yl-1H-pyrazol-5-yl)phenyl]ethanone.
What is the SMILES notation for 1-[3-(3-pyridin-3-yl-1H-pyrazol-5-yl)phenyl]ethanone?
The canonical SMILES for 1-[3-(3-pyridin-3-yl-1H-pyrazol-5-yl)phenyl]ethanone is CC(=O)c1cccc(-c2cc(-c3cccnc3)n[nH]2)c1.
What is the InChIKey of 1-[3-(3-pyridin-3-yl-1H-pyrazol-5-yl)phenyl]ethanone?
The InChIKey is DVDIANFPDDLGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c1-11(20)12-4-2-5-13(8-12)15-9-16(19-18-15)14-6-3-7-17-10-14/h2-10H,1H3,(H,18,19).
What are the key properties of 1-[3-(3-pyridin-3-yl-1H-pyrazol-5-yl)phenyl]ethanone?
1-[3-(3-pyridin-3-yl-1H-pyrazol-5-yl)phenyl]ethanone has a molecular weight of 263.30 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-pyridin-3-yl-1H-pyrazol-5-yl)phenyl]ethanone is sourced from PubChem (CID 141253759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).