1-(6-phenylpyridazin-3-yl)pyrrolidine-3-carboxylic acid

C15H15N3O2 — CID 116972743

IUPAC1-(6-phenylpyridazin-3-yl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(c2ccc(-c3ccccc3)nn2)C1
InChIInChI=1S/C15H15N3O2/c19-15(20)12-8-9-18(10-12)14-7-6-13(16-17-14)11-4-2-1-3-5-11/h1-7,12H,8-10H2,(H,19,20)
InChIKeyUYMGJVBXWIZHGO-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.05
Rot. Bonds3

About 1-(6-phenylpyridazin-3-yl)pyrrolidine-3-carboxylic acid

1-(6-phenylpyridazin-3-yl)pyrrolidine-3-carboxylic acid (PubChem CID 116972743) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 1-(6-phenylpyridazin-3-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(6-phenylpyridazin-3-yl)pyrrolidine-3-carboxylic acid
PubChem CID116972743
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name1-(6-phenylpyridazin-3-yl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(c2ccc(-c3ccccc3)nn2)C1
InChIInChI=1S/C15H15N3O2/c19-15(20)12-8-9-18(10-12)14-7-6-13(16-17-14)11-4-2-1-3-5-11/h1-7,12H,8-10H2,(H,19,20)
InChIKeyUYMGJVBXWIZHGO-UHFFFAOYSA-N
XLogP2.05
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-phenylpyridazin-3-yl)piperidin-4-ol
CID 3022103
(3S,4R)-4-phenyl-1-(6-phenylpyridazin-3-yl)piperidin-3-ol
CID 162633912
1-(6-phenylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 102549329
N-cyclohexyl-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide
CID 30360643
(4-methylpiperidin-1-yl)-[1-(6-phenylpyridazin-3-yl)piperidin-3-yl]methanone
CID 53025387
1-[6-(3,5-difluorophenyl)pyridazin-3-yl]piperidine-3-carboxylic acid
CID 56770353
1-[6-(2-chlorophenyl)pyridazin-3-yl]piperidine-4-carboxylic acid
CID 56770692
(3S)-N-(4-chlorophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 30351128
(4-benzylpiperazin-1-yl)-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methanone
CID 30866604
(4-methylsulfonylpiperazin-1-yl)-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methanone
CID 121072082
[4-(2-fluorophenyl)piperazin-1-yl]-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methanone
CID 30866607
1-(6-phenylpyridazin-3-yl)-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 30360856

Frequently Asked Questions

What is the IUPAC name of 1-(6-phenylpyridazin-3-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(6-phenylpyridazin-3-yl)pyrrolidine-3-carboxylic acid (CID 116972743) is 1-(6-phenylpyridazin-3-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(6-phenylpyridazin-3-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(6-phenylpyridazin-3-yl)pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(c2ccc(-c3ccccc3)nn2)C1.
What is the InChIKey of 1-(6-phenylpyridazin-3-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is UYMGJVBXWIZHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c19-15(20)12-8-9-18(10-12)14-7-6-13(16-17-14)11-4-2-1-3-5-11/h1-7,12H,8-10H2,(H,19,20).
What are the key properties of 1-(6-phenylpyridazin-3-yl)pyrrolidine-3-carboxylic acid?
1-(6-phenylpyridazin-3-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 269.30 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-phenylpyridazin-3-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 116972743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).