5-(4-propan-2-ylphenyl)-4-pyrrolidin-1-yl-1H-pyridazin-6-one

C17H21N3O — CID 121494423

IUPAC5-(4-propan-2-ylphenyl)-4-pyrrolidin-1-yl-1H-pyridazin-6-one
SMILESCC(C)c1ccc(-c2c(N3CCCC3)cn[nH]c2=O)cc1
InChIInChI=1S/C17H21N3O/c1-12(2)13-5-7-14(8-6-13)16-15(11-18-19-17(16)21)20-9-3-4-10-20/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,19,21)
InChIKeyBDKPHZJWWBUVSE-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.16
Rot. Bonds3

About 5-(4-propan-2-ylphenyl)-4-pyrrolidin-1-yl-1H-pyridazin-6-one

5-(4-propan-2-ylphenyl)-4-pyrrolidin-1-yl-1H-pyridazin-6-one (PubChem CID 121494423) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 5-(4-propan-2-ylphenyl)-4-pyrrolidin-1-yl-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-(4-propan-2-ylphenyl)-4-pyrrolidin-1-yl-1H-pyridazin-6-one
PubChem CID121494423
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name5-(4-propan-2-ylphenyl)-4-pyrrolidin-1-yl-1H-pyridazin-6-one
SMILESCC(C)c1ccc(-c2c(N3CCCC3)cn[nH]c2=O)cc1
InChIInChI=1S/C17H21N3O/c1-12(2)13-5-7-14(8-6-13)16-15(11-18-19-17(16)21)20-9-3-4-10-20/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,19,21)
InChIKeyBDKPHZJWWBUVSE-UHFFFAOYSA-N
XLogP3.16
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-propan-2-ylphenyl)-4-pyrrolidin-1-yl-1H-pyridazin-6-one?
The IUPAC name of 5-(4-propan-2-ylphenyl)-4-pyrrolidin-1-yl-1H-pyridazin-6-one (CID 121494423) is 5-(4-propan-2-ylphenyl)-4-pyrrolidin-1-yl-1H-pyridazin-6-one.
What is the SMILES notation for 5-(4-propan-2-ylphenyl)-4-pyrrolidin-1-yl-1H-pyridazin-6-one?
The canonical SMILES for 5-(4-propan-2-ylphenyl)-4-pyrrolidin-1-yl-1H-pyridazin-6-one is CC(C)c1ccc(-c2c(N3CCCC3)cn[nH]c2=O)cc1.
What is the InChIKey of 5-(4-propan-2-ylphenyl)-4-pyrrolidin-1-yl-1H-pyridazin-6-one?
The InChIKey is BDKPHZJWWBUVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12(2)13-5-7-14(8-6-13)16-15(11-18-19-17(16)21)20-9-3-4-10-20/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,19,21).
What are the key properties of 5-(4-propan-2-ylphenyl)-4-pyrrolidin-1-yl-1H-pyridazin-6-one?
5-(4-propan-2-ylphenyl)-4-pyrrolidin-1-yl-1H-pyridazin-6-one has a molecular weight of 283.38 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-propan-2-ylphenyl)-4-pyrrolidin-1-yl-1H-pyridazin-6-one is sourced from PubChem (CID 121494423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).