1-pyrazol-1-yl-3-pyridin-4-ylpropan-1-one

C11H11N3O — CID 110468375

IUPAC1-pyrazol-1-yl-3-pyridin-4-ylpropan-1-one
SMILESO=C(CCc1ccncc1)n1cccn1
InChIInChI=1S/C11H11N3O/c15-11(14-9-1-6-13-14)3-2-10-4-7-12-8-5-10/h1,4-9H,2-3H2
InChIKeyKJNAGEFFQVICLF-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.55
Rot. Bonds3

About 1-pyrazol-1-yl-3-pyridin-4-ylpropan-1-one

1-pyrazol-1-yl-3-pyridin-4-ylpropan-1-one (PubChem CID 110468375) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 1-pyrazol-1-yl-3-pyridin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-pyrazol-1-yl-3-pyridin-4-ylpropan-1-one
PubChem CID110468375
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name1-pyrazol-1-yl-3-pyridin-4-ylpropan-1-one
SMILESO=C(CCc1ccncc1)n1cccn1
InChIInChI=1S/C11H11N3O/c15-11(14-9-1-6-13-14)3-2-10-4-7-12-8-5-10/h1,4-9H,2-3H2
InChIKeyKJNAGEFFQVICLF-UHFFFAOYSA-N
XLogP1.55
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(dimethylamino)phenyl]-1-pyrazol-1-ylpropan-1-one
CID 110464568
3-pyridin-4-ylpropanoyl iodide
CID 171810746
1-(3-pyridin-4-ylpropanoyl)piperidin-4-one
CID 82475134
3-pyridin-4-yl-1-(1,3-thiazolidin-3-yl)propan-1-one
CID 123982868
acetic acid;3-pyridin-4-ylpropanoic acid
CID 71346900
1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-pyridin-4-ylpropan-1-one
CID 78995399
1-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 124574556
2-(benzylamino)-1-pyrazol-1-ylethanone
CID 141299759
5-pyridin-4-ylpent-1-yn-3-one
CID 105108150
methyl 3-pyridin-4-ylpropanoate
CID 3704115
6-phenyl-1-pyridin-4-ylhexan-3-one
CID 105093114
3-pyridin-4-yl-1-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)propan-1-one
CID 112535703

Frequently Asked Questions

What is the IUPAC name of 1-pyrazol-1-yl-3-pyridin-4-ylpropan-1-one?
The IUPAC name of 1-pyrazol-1-yl-3-pyridin-4-ylpropan-1-one (CID 110468375) is 1-pyrazol-1-yl-3-pyridin-4-ylpropan-1-one.
What is the SMILES notation for 1-pyrazol-1-yl-3-pyridin-4-ylpropan-1-one?
The canonical SMILES for 1-pyrazol-1-yl-3-pyridin-4-ylpropan-1-one is O=C(CCc1ccncc1)n1cccn1.
What is the InChIKey of 1-pyrazol-1-yl-3-pyridin-4-ylpropan-1-one?
The InChIKey is KJNAGEFFQVICLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c15-11(14-9-1-6-13-14)3-2-10-4-7-12-8-5-10/h1,4-9H,2-3H2.
What are the key properties of 1-pyrazol-1-yl-3-pyridin-4-ylpropan-1-one?
1-pyrazol-1-yl-3-pyridin-4-ylpropan-1-one has a molecular weight of 201.23 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrazol-1-yl-3-pyridin-4-ylpropan-1-one is sourced from PubChem (CID 110468375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).