1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxylic acid

C15H19N5O2 — CID 56766268

IUPAC1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxylic acid
SMILESCc1cc(C)n(-c2ccc(N3CCC(C(=O)O)CC3)nn2)n1
InChIInChI=1S/C15H19N5O2/c1-10-9-11(2)20(18-10)14-4-3-13(16-17-14)19-7-5-12(6-8-19)15(21)22/h3-4,9,12H,5-8H2,1-2H3,(H,21,22)
InChIKeyJWNMIQUYXZRYFH-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.58
Rot. Bonds3

About 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxylic acid

1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxylic acid (PubChem CID 56766268) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxylic acid
PubChem CID56766268
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxylic acid
SMILESCc1cc(C)n(-c2ccc(N3CCC(C(=O)O)CC3)nn2)n1
InChIInChI=1S/C15H19N5O2/c1-10-9-11(2)20(18-10)14-4-3-13(16-17-14)19-7-5-12(6-8-19)15(21)22/h3-4,9,12H,5-8H2,1-2H3,(H,21,22)
InChIKeyJWNMIQUYXZRYFH-UHFFFAOYSA-N
XLogP1.58
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxylic acid (CID 56766268) is 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxylic acid is Cc1cc(C)n(-c2ccc(N3CCC(C(=O)O)CC3)nn2)n1.
What is the InChIKey of 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxylic acid?
The InChIKey is JWNMIQUYXZRYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-10-9-11(2)20(18-10)14-4-3-13(16-17-14)19-7-5-12(6-8-19)15(21)22/h3-4,9,12H,5-8H2,1-2H3,(H,21,22).
What are the key properties of 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxylic acid?
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxylic acid has a molecular weight of 301.35 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxylic acid is sourced from PubChem (CID 56766268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).