3-(4-pyridin-2-ylpyrazol-1-yl)cyclobutan-1-one

C12H11N3O — CID 166993889

IUPAC3-(4-pyridin-2-ylpyrazol-1-yl)cyclobutan-1-one
SMILESO=C1CC(n2cc(-c3ccccn3)cn2)C1
InChIInChI=1S/C12H11N3O/c16-11-5-10(6-11)15-8-9(7-14-15)12-3-1-2-4-13-12/h1-4,7-8,10H,5-6H2
InChIKeyYIOCBCRBVUVEDQ-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.85
Rot. Bonds2

About 3-(4-pyridin-2-ylpyrazol-1-yl)cyclobutan-1-one

3-(4-pyridin-2-ylpyrazol-1-yl)cyclobutan-1-one (PubChem CID 166993889) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is 3-(4-pyridin-2-ylpyrazol-1-yl)cyclobutan-1-one.

Molecular Properties

Compound Name3-(4-pyridin-2-ylpyrazol-1-yl)cyclobutan-1-one
PubChem CID166993889
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC Name3-(4-pyridin-2-ylpyrazol-1-yl)cyclobutan-1-one
SMILESO=C1CC(n2cc(-c3ccccn3)cn2)C1
InChIInChI=1S/C12H11N3O/c16-11-5-10(6-11)15-8-9(7-14-15)12-3-1-2-4-13-12/h1-4,7-8,10H,5-6H2
InChIKeyYIOCBCRBVUVEDQ-UHFFFAOYSA-N
XLogP1.85
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(4-pyridin-2-ylpyrazol-1-yl)cyclobutyl]methanamine
CID 166993892
3-(4-pyridin-2-ylpyrazol-1-yl)-1-azabicyclo[2.2.2]octane
CID 141118795
2-(2,6-dioxopiperidin-3-yl)-5-[[3-(4-pyridin-2-ylpyrazol-1-yl)cyclobutyl]methylamino]isoindole-1,3-dione
CID 170548102
2-[1-(1,3-dioxol-2-ylmethyl)pyrazol-4-yl]pyridine
CID 141187555
3-(1-cyclopropylpyrazol-4-yl)-1H-pyridazin-6-one
CID 176912062
2-[1-(3-pyridin-2-ylphenyl)pyrazol-4-yl]pyridine
CID 11150679
1-methyl-5-pyridin-2-ylpyrimidine-2-thione
CID 59306210
5-phenyl-6-[4-[[4-(4-pyridin-2-ylpyrazol-1-yl)piperidin-1-yl]methyl]phenyl]pyridine-3-carbonitrile
CID 11477491
N-methyl-2-(4-pyridin-2-ylpyrazol-1-yl)ethanamine
CID 121213927
5-(1-methylpyrazol-4-yl)-2-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 92567025
4-(1-phenylpyrazol-4-yl)-2-pyridin-2-ylpyrimidine
CID 67958989
N-[4-(4-pyrazin-2-ylpyrazol-1-yl)cyclohexyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 175645395

Frequently Asked Questions

What is the IUPAC name of 3-(4-pyridin-2-ylpyrazol-1-yl)cyclobutan-1-one?
The IUPAC name of 3-(4-pyridin-2-ylpyrazol-1-yl)cyclobutan-1-one (CID 166993889) is 3-(4-pyridin-2-ylpyrazol-1-yl)cyclobutan-1-one.
What is the SMILES notation for 3-(4-pyridin-2-ylpyrazol-1-yl)cyclobutan-1-one?
The canonical SMILES for 3-(4-pyridin-2-ylpyrazol-1-yl)cyclobutan-1-one is O=C1CC(n2cc(-c3ccccn3)cn2)C1.
What is the InChIKey of 3-(4-pyridin-2-ylpyrazol-1-yl)cyclobutan-1-one?
The InChIKey is YIOCBCRBVUVEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O/c16-11-5-10(6-11)15-8-9(7-14-15)12-3-1-2-4-13-12/h1-4,7-8,10H,5-6H2.
What are the key properties of 3-(4-pyridin-2-ylpyrazol-1-yl)cyclobutan-1-one?
3-(4-pyridin-2-ylpyrazol-1-yl)cyclobutan-1-one has a molecular weight of 213.24 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-pyridin-2-ylpyrazol-1-yl)cyclobutan-1-one is sourced from PubChem (CID 166993889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).