1H-pyrazol-5-yl-(3-pyridin-3-ylphenyl)methanone

C15H11N3O — CID 141033803

IUPAC1H-pyrazol-5-yl-(3-pyridin-3-ylphenyl)methanone
SMILESO=C(c1cccc(-c2cccnc2)c1)c1ccn[nH]1
InChIInChI=1S/C15H11N3O/c19-15(14-6-8-17-18-14)12-4-1-3-11(9-12)13-5-2-7-16-10-13/h1-10H,(H,17,18)
InChIKeyYFXWCYGIJPHOEQ-UHFFFAOYSA-N
MW249.27 g/mol
LogP2.70
Rot. Bonds3

About 1H-pyrazol-5-yl-(3-pyridin-3-ylphenyl)methanone

1H-pyrazol-5-yl-(3-pyridin-3-ylphenyl)methanone (PubChem CID 141033803) has the molecular formula C15H11N3O and a molecular weight of 249.27 g/mol. Its IUPAC name is 1H-pyrazol-5-yl-(3-pyridin-3-ylphenyl)methanone.

Molecular Properties

Compound Name1H-pyrazol-5-yl-(3-pyridin-3-ylphenyl)methanone
PubChem CID141033803
Molecular FormulaC15H11N3O
Molecular Weight249.27 g/mol
Exact Mass249.09
IUPAC Name1H-pyrazol-5-yl-(3-pyridin-3-ylphenyl)methanone
SMILESO=C(c1cccc(-c2cccnc2)c1)c1ccn[nH]1
InChIInChI=1S/C15H11N3O/c19-15(14-6-8-17-18-14)12-4-1-3-11(9-12)13-5-2-7-16-10-13/h1-10H,(H,17,18)
InChIKeyYFXWCYGIJPHOEQ-UHFFFAOYSA-N
XLogP2.70
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-pyridin-3-ylbenzoic acid
CID 2795575
3-pyridin-3-ylbenzamide;hydrochloride
CID 175813431
3-(1H-pyrazole-5-carbonyl)benzaldehyde
CID 142051838
(4-fluoro-3-phenylphenyl)-(1H-pyrazol-5-yl)methanone
CID 118484775
3-pyridin-3-ylbenzoyl azide
CID 89407530
1-[3-(3-pyridin-3-yl-1H-pyrazol-5-yl)phenyl]ethanone
CID 141253759
5-[3-(1H-pyrazol-5-yl)phenyl]pyridine-3-carboxamide
CID 30877174
1-(5-pyridin-3-yl-3-pyridinyl)ethanone
CID 20802831
N-(3-pyridin-3-ylphenyl)pyridine-3-carboxamide
CID 110461666
benzene;3-[3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-5-pyridin-3-ylphenyl]pyridine
CID 158338475
(3-bromophenyl)-pyridin-3-ylmethanone
CID 12930026
N'-methyl-3-pyridin-3-ylbenzenecarboximidamide
CID 145179750

Frequently Asked Questions

What is the IUPAC name of 1H-pyrazol-5-yl-(3-pyridin-3-ylphenyl)methanone?
The IUPAC name of 1H-pyrazol-5-yl-(3-pyridin-3-ylphenyl)methanone (CID 141033803) is 1H-pyrazol-5-yl-(3-pyridin-3-ylphenyl)methanone.
What is the SMILES notation for 1H-pyrazol-5-yl-(3-pyridin-3-ylphenyl)methanone?
The canonical SMILES for 1H-pyrazol-5-yl-(3-pyridin-3-ylphenyl)methanone is O=C(c1cccc(-c2cccnc2)c1)c1ccn[nH]1.
What is the InChIKey of 1H-pyrazol-5-yl-(3-pyridin-3-ylphenyl)methanone?
The InChIKey is YFXWCYGIJPHOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O/c19-15(14-6-8-17-18-14)12-4-1-3-11(9-12)13-5-2-7-16-10-13/h1-10H,(H,17,18).
What are the key properties of 1H-pyrazol-5-yl-(3-pyridin-3-ylphenyl)methanone?
1H-pyrazol-5-yl-(3-pyridin-3-ylphenyl)methanone has a molecular weight of 249.27 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazol-5-yl-(3-pyridin-3-ylphenyl)methanone is sourced from PubChem (CID 141033803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).