6-[4-(1-pyrrolidin-1-ylethyl)phenyl]pyridazine-3-carboxylic acid

C17H19N3O2 — CID 122559884

IUPAC6-[4-(1-pyrrolidin-1-ylethyl)phenyl]pyridazine-3-carboxylic acid
SMILESCC(c1ccc(-c2ccc(C(=O)O)nn2)cc1)N1CCCC1
InChIInChI=1S/C17H19N3O2/c1-12(20-10-2-3-11-20)13-4-6-14(7-5-13)15-8-9-16(17(21)22)19-18-15/h4-9,12H,2-3,10-11H2,1H3,(H,21,22)
InChIKeyYSJGBOPBBBAILC-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.00
Rot. Bonds4

About 6-[4-(1-pyrrolidin-1-ylethyl)phenyl]pyridazine-3-carboxylic acid

6-[4-(1-pyrrolidin-1-ylethyl)phenyl]pyridazine-3-carboxylic acid (PubChem CID 122559884) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 6-[4-(1-pyrrolidin-1-ylethyl)phenyl]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-[4-(1-pyrrolidin-1-ylethyl)phenyl]pyridazine-3-carboxylic acid
PubChem CID122559884
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name6-[4-(1-pyrrolidin-1-ylethyl)phenyl]pyridazine-3-carboxylic acid
SMILESCC(c1ccc(-c2ccc(C(=O)O)nn2)cc1)N1CCCC1
InChIInChI=1S/C17H19N3O2/c1-12(20-10-2-3-11-20)13-4-6-14(7-5-13)15-8-9-16(17(21)22)19-18-15/h4-9,12H,2-3,10-11H2,1H3,(H,21,22)
InChIKeyYSJGBOPBBBAILC-UHFFFAOYSA-N
XLogP3.00
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(1-pyrrolidin-1-ylethyl)phenyl]pyridazine-3-carboxylic acid?
The IUPAC name of 6-[4-(1-pyrrolidin-1-ylethyl)phenyl]pyridazine-3-carboxylic acid (CID 122559884) is 6-[4-(1-pyrrolidin-1-ylethyl)phenyl]pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-[4-(1-pyrrolidin-1-ylethyl)phenyl]pyridazine-3-carboxylic acid?
The canonical SMILES for 6-[4-(1-pyrrolidin-1-ylethyl)phenyl]pyridazine-3-carboxylic acid is CC(c1ccc(-c2ccc(C(=O)O)nn2)cc1)N1CCCC1.
What is the InChIKey of 6-[4-(1-pyrrolidin-1-ylethyl)phenyl]pyridazine-3-carboxylic acid?
The InChIKey is YSJGBOPBBBAILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-12(20-10-2-3-11-20)13-4-6-14(7-5-13)15-8-9-16(17(21)22)19-18-15/h4-9,12H,2-3,10-11H2,1H3,(H,21,22).
What are the key properties of 6-[4-(1-pyrrolidin-1-ylethyl)phenyl]pyridazine-3-carboxylic acid?
6-[4-(1-pyrrolidin-1-ylethyl)phenyl]pyridazine-3-carboxylic acid has a molecular weight of 297.36 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1-pyrrolidin-1-ylethyl)phenyl]pyridazine-3-carboxylic acid is sourced from PubChem (CID 122559884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).