3-[4-(1H-pyrazol-4-yl)phenyl]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazine

C23H29N5 — CID 90041398

IUPAC3-[4-(1H-pyrazol-4-yl)phenyl]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazine
SMILESCC1(C)CC(Cc2ccc(-c3ccc(-c4cn[nH]c4)cc3)nn2)CC(C)(C)N1
InChIInChI=1S/C23H29N5/c1-22(2)12-16(13-23(3,4)28-22)11-20-9-10-21(27-26-20)18-7-5-17(6-8-18)19-14-24-25-15-19/h5-10,14-16,28H,11-13H2,1-4H3,(H,24,25)
InChIKeyABSLDQQBNGVJMH-UHFFFAOYSA-N
MW375.52 g/mol
LogP4.63
Rot. Bonds4

About 3-[4-(1H-pyrazol-4-yl)phenyl]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazine

3-[4-(1H-pyrazol-4-yl)phenyl]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazine (PubChem CID 90041398) has the molecular formula C23H29N5 and a molecular weight of 375.52 g/mol. Its IUPAC name is 3-[4-(1H-pyrazol-4-yl)phenyl]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazine.

Molecular Properties

Compound Name3-[4-(1H-pyrazol-4-yl)phenyl]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazine
PubChem CID90041398
Molecular FormulaC23H29N5
Molecular Weight375.52 g/mol
Exact Mass375.24
IUPAC Name3-[4-(1H-pyrazol-4-yl)phenyl]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazine
SMILESCC1(C)CC(Cc2ccc(-c3ccc(-c4cn[nH]c4)cc3)nn2)CC(C)(C)N1
InChIInChI=1S/C23H29N5/c1-22(2)12-16(13-23(3,4)28-22)11-20-9-10-21(27-26-20)18-7-5-17(6-8-18)19-14-24-25-15-19/h5-10,14-16,28H,11-13H2,1-4H3,(H,24,25)
InChIKeyABSLDQQBNGVJMH-UHFFFAOYSA-N
XLogP4.63
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[4-(1H-pyrazol-4-yl)phenyl]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1H-pyrazol-4-yl)phenyl]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazine?
The IUPAC name of 3-[4-(1H-pyrazol-4-yl)phenyl]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazine (CID 90041398) is 3-[4-(1H-pyrazol-4-yl)phenyl]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazine.
What is the SMILES notation for 3-[4-(1H-pyrazol-4-yl)phenyl]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazine?
The canonical SMILES for 3-[4-(1H-pyrazol-4-yl)phenyl]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazine is CC1(C)CC(Cc2ccc(-c3ccc(-c4cn[nH]c4)cc3)nn2)CC(C)(C)N1.
What is the InChIKey of 3-[4-(1H-pyrazol-4-yl)phenyl]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazine?
The InChIKey is ABSLDQQBNGVJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5/c1-22(2)12-16(13-23(3,4)28-22)11-20-9-10-21(27-26-20)18-7-5-17(6-8-18)19-14-24-25-15-19/h5-10,14-16,28H,11-13H2,1-4H3,(H,24,25).
What are the key properties of 3-[4-(1H-pyrazol-4-yl)phenyl]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazine?
3-[4-(1H-pyrazol-4-yl)phenyl]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazine has a molecular weight of 375.52 g/mol, XLogP of 4.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1H-pyrazol-4-yl)phenyl]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazine is sourced from PubChem (CID 90041398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).