3-(3-phenylpyrrolidin-1-yl)pyridazine-4-carboxylic acid

C15H15N3O2 — CID 80516938

IUPAC3-(3-phenylpyrrolidin-1-yl)pyridazine-4-carboxylic acid
SMILESO=C(O)c1ccnnc1N1CCC(c2ccccc2)C1
InChIInChI=1S/C15H15N3O2/c19-15(20)13-6-8-16-17-14(13)18-9-7-12(10-18)11-4-2-1-3-5-11/h1-6,8,12H,7,9-10H2,(H,19,20)
InChIKeyKJXOSIGZSFPXCX-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.17
Rot. Bonds3

About 3-(3-phenylpyrrolidin-1-yl)pyridazine-4-carboxylic acid

3-(3-phenylpyrrolidin-1-yl)pyridazine-4-carboxylic acid (PubChem CID 80516938) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 3-(3-phenylpyrrolidin-1-yl)pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-(3-phenylpyrrolidin-1-yl)pyridazine-4-carboxylic acid
PubChem CID80516938
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name3-(3-phenylpyrrolidin-1-yl)pyridazine-4-carboxylic acid
SMILESO=C(O)c1ccnnc1N1CCC(c2ccccc2)C1
InChIInChI=1S/C15H15N3O2/c19-15(20)13-6-8-16-17-14(13)18-9-7-12(10-18)11-4-2-1-3-5-11/h1-6,8,12H,7,9-10H2,(H,19,20)
InChIKeyKJXOSIGZSFPXCX-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-phenylpyrrolidin-1-yl)pyridazine-4-carbonitrile
CID 80509809
3-pyrrolidin-1-ylpyridazine-4-carboxylic acid
CID 80517688
3-(4-methoxypiperidin-1-yl)pyridazine-4-carboxylic acid
CID 80517729
2-chloro-4-(3-phenylpyrrolidin-1-yl)benzoic acid
CID 62946081
3-[3-(dimethylamino)piperidin-1-yl]pyridazine-4-carboxylic acid
CID 80517330
4-(3-phenylpyrrolidin-1-yl)pyridine-2-carboxylic acid
CID 62131776
4-methyl-2-(3-phenylpyrrolidin-1-yl)pyrimidine-5-carboxylic acid
CID 83178302
5-amino-2-(3-phenylpyrrolidin-1-yl)benzamide
CID 62131789
2-(4-phenylpiperidin-1-yl)benzoic acid
CID 125468631
2-(2-chlorophenyl)-5-[(3R)-3-phenylpyrrolidin-1-yl]triazole-4-carboxylic acid
CID 129450540
N-methyl-6-(3-phenylpyrrolidin-1-yl)pyridazine-3-carboxamide
CID 133342994
1-[(3R)-3-phenylpyrrolidin-1-yl]isoquinolin-4-amine
CID 139559680

Frequently Asked Questions

What is the IUPAC name of 3-(3-phenylpyrrolidin-1-yl)pyridazine-4-carboxylic acid?
The IUPAC name of 3-(3-phenylpyrrolidin-1-yl)pyridazine-4-carboxylic acid (CID 80516938) is 3-(3-phenylpyrrolidin-1-yl)pyridazine-4-carboxylic acid.
What is the SMILES notation for 3-(3-phenylpyrrolidin-1-yl)pyridazine-4-carboxylic acid?
The canonical SMILES for 3-(3-phenylpyrrolidin-1-yl)pyridazine-4-carboxylic acid is O=C(O)c1ccnnc1N1CCC(c2ccccc2)C1.
What is the InChIKey of 3-(3-phenylpyrrolidin-1-yl)pyridazine-4-carboxylic acid?
The InChIKey is KJXOSIGZSFPXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c19-15(20)13-6-8-16-17-14(13)18-9-7-12(10-18)11-4-2-1-3-5-11/h1-6,8,12H,7,9-10H2,(H,19,20).
What are the key properties of 3-(3-phenylpyrrolidin-1-yl)pyridazine-4-carboxylic acid?
3-(3-phenylpyrrolidin-1-yl)pyridazine-4-carboxylic acid has a molecular weight of 269.30 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenylpyrrolidin-1-yl)pyridazine-4-carboxylic acid is sourced from PubChem (CID 80516938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).