5-propyl-2-pyridin-2-yl-4H-pyrazol-3-one

C11H13N3O — CID 14050876

IUPAC5-propyl-2-pyridin-2-yl-4H-pyrazol-3-one
SMILESCCCC1=NN(c2ccccn2)C(=O)C1
InChIInChI=1S/C11H13N3O/c1-2-5-9-8-11(15)14(13-9)10-6-3-4-7-12-10/h3-4,6-7H,2,5,8H2,1H3
InChIKeyIKQDRNCTTVWDES-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.97
Rot. Bonds3

About 5-propyl-2-pyridin-2-yl-4H-pyrazol-3-one

5-propyl-2-pyridin-2-yl-4H-pyrazol-3-one (PubChem CID 14050876) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 5-propyl-2-pyridin-2-yl-4H-pyrazol-3-one.

Molecular Properties

Compound Name5-propyl-2-pyridin-2-yl-4H-pyrazol-3-one
PubChem CID14050876
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name5-propyl-2-pyridin-2-yl-4H-pyrazol-3-one
SMILESCCCC1=NN(c2ccccn2)C(=O)C1
InChIInChI=1S/C11H13N3O/c1-2-5-9-8-11(15)14(13-9)10-6-3-4-7-12-10/h3-4,6-7H,2,5,8H2,1H3
InChIKeyIKQDRNCTTVWDES-UHFFFAOYSA-N
XLogP1.97
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-propyl-2-pyridin-2-yl-4H-pyrazol-3-one?
The IUPAC name of 5-propyl-2-pyridin-2-yl-4H-pyrazol-3-one (CID 14050876) is 5-propyl-2-pyridin-2-yl-4H-pyrazol-3-one.
What is the SMILES notation for 5-propyl-2-pyridin-2-yl-4H-pyrazol-3-one?
The canonical SMILES for 5-propyl-2-pyridin-2-yl-4H-pyrazol-3-one is CCCC1=NN(c2ccccn2)C(=O)C1.
What is the InChIKey of 5-propyl-2-pyridin-2-yl-4H-pyrazol-3-one?
The InChIKey is IKQDRNCTTVWDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-2-5-9-8-11(15)14(13-9)10-6-3-4-7-12-10/h3-4,6-7H,2,5,8H2,1H3.
What are the key properties of 5-propyl-2-pyridin-2-yl-4H-pyrazol-3-one?
5-propyl-2-pyridin-2-yl-4H-pyrazol-3-one has a molecular weight of 203.25 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-2-pyridin-2-yl-4H-pyrazol-3-one is sourced from PubChem (CID 14050876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).