3-[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-methylpyridazine

C20H23N5 — CID 56707458

IUPAC3-[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-methylpyridazine
SMILESCc1ccc(N2CCCC(c3[nH]ncc3Cc3ccccc3)C2)nn1
InChIInChI=1S/C20H23N5/c1-15-9-10-19(23-22-15)25-11-5-8-17(14-25)20-18(13-21-24-20)12-16-6-3-2-4-7-16/h2-4,6-7,9-10,13,17H,5,8,11-12,14H2,1H3,(H,21,24)
InChIKeyWMUWINJNMNLUHN-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.48
Rot. Bonds4

About 3-[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-methylpyridazine

3-[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-methylpyridazine (PubChem CID 56707458) has the molecular formula C20H23N5 and a molecular weight of 333.44 g/mol. Its IUPAC name is 3-[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-methylpyridazine.

Molecular Properties

Compound Name3-[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-methylpyridazine
PubChem CID56707458
Molecular FormulaC20H23N5
Molecular Weight333.44 g/mol
Exact Mass333.20
IUPAC Name3-[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-methylpyridazine
SMILESCc1ccc(N2CCCC(c3[nH]ncc3Cc3ccccc3)C2)nn1
InChIInChI=1S/C20H23N5/c1-15-9-10-19(23-22-15)25-11-5-8-17(14-25)20-18(13-21-24-20)12-16-6-3-2-4-7-16/h2-4,6-7,9-10,13,17H,5,8,11-12,14H2,1H3,(H,21,24)
InChIKeyWMUWINJNMNLUHN-UHFFFAOYSA-N
XLogP3.48
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-methylpyridazine?
The IUPAC name of 3-[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-methylpyridazine (CID 56707458) is 3-[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-methylpyridazine.
What is the SMILES notation for 3-[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-methylpyridazine?
The canonical SMILES for 3-[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-methylpyridazine is Cc1ccc(N2CCCC(c3[nH]ncc3Cc3ccccc3)C2)nn1.
What is the InChIKey of 3-[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-methylpyridazine?
The InChIKey is WMUWINJNMNLUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5/c1-15-9-10-19(23-22-15)25-11-5-8-17(14-25)20-18(13-21-24-20)12-16-6-3-2-4-7-16/h2-4,6-7,9-10,13,17H,5,8,11-12,14H2,1H3,(H,21,24).
What are the key properties of 3-[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-methylpyridazine?
3-[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-methylpyridazine has a molecular weight of 333.44 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-methylpyridazine is sourced from PubChem (CID 56707458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).