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

C20H23N5 — CID 56702425

IUPAC3-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-6-methylpyridazine
SMILESCc1ccc(N2CCC(c3cc(Cc4ccccc4)[nH]n3)CC2)nn1
InChIInChI=1S/C20H23N5/c1-15-7-8-20(24-21-15)25-11-9-17(10-12-25)19-14-18(22-23-19)13-16-5-3-2-4-6-16/h2-8,14,17H,9-13H2,1H3,(H,22,23)
InChIKeyYNFOETBIXVFNDI-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.48
Rot. Bonds4

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

3-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-6-methylpyridazine (PubChem CID 56702425) has the molecular formula C20H23N5 and a molecular weight of 333.44 g/mol. Its IUPAC name is 3-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-6-methylpyridazine.

Molecular Properties

Compound Name3-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-6-methylpyridazine
PubChem CID56702425
Molecular FormulaC20H23N5
Molecular Weight333.44 g/mol
Exact Mass333.20
IUPAC Name3-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-6-methylpyridazine
SMILESCc1ccc(N2CCC(c3cc(Cc4ccccc4)[nH]n3)CC2)nn1
InChIInChI=1S/C20H23N5/c1-15-7-8-20(24-21-15)25-11-9-17(10-12-25)19-14-18(22-23-19)13-16-5-3-2-4-6-16/h2-8,14,17H,9-13H2,1H3,(H,22,23)
InChIKeyYNFOETBIXVFNDI-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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Related Compounds

CID 46891461
CID 46891461
1-methyl-N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)piperidine-4-carboxamide
CID 6539558
(3H)A-585539
CID 23643135
[2-(1-Benzyl-piperidin-4-yl)-ethyl]-(6-phenyl-pyridazin-3-yl)-amine; hydrochloride
CID 10067904
3-(4-Methylpiperazin-1-yl)-6-phenylpyridazine
CID 10354969
1-Benzyl-4-(5-phenyl-1H-pyrazol-3-yl)-piperidine
CID 10615437
N'-benzyl-N'-methyl-N-(6-phenylpyridazin-3-yl)pentane-1,5-diamine
CID 10713570
N-(2-(1-benzylpiperidin-4-yl)ethyl)-4-methyl-6-phenylpyridazin-3-amine
CID 11058147
N-(2-(1-benzylpiperidin-4-yl)ethyl)-4-isopropyl-6-phenylpyridazin-3-amine
CID 11825837
(1S,4S)-2-(6-phenylpyridazin-3-yl)-2,5-diazabicyclo[2.2.1]heptane
CID 15462088
(1S,4S)-2-methyl-5-(6-phenylpyridazin-3-yl)-2,5-diazabicyclo[2.2.1]heptane
CID 15462089
N-methyl-5-phenyl-1H-pyrazol-3-amine
CID 12356179

Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-6-methylpyridazine?
The IUPAC name of 3-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-6-methylpyridazine (CID 56702425) is 3-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-6-methylpyridazine.
What is the SMILES notation for 3-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-6-methylpyridazine?
The canonical SMILES for 3-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-6-methylpyridazine is Cc1ccc(N2CCC(c3cc(Cc4ccccc4)[nH]n3)CC2)nn1.
What is the InChIKey of 3-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-6-methylpyridazine?
The InChIKey is YNFOETBIXVFNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5/c1-15-7-8-20(24-21-15)25-11-9-17(10-12-25)19-14-18(22-23-19)13-16-5-3-2-4-6-16/h2-8,14,17H,9-13H2,1H3,(H,22,23).
What are the key properties of 3-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-6-methylpyridazine?
3-[4-(5-benzyl-1H-pyrazol-3-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-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-6-methylpyridazine is sourced from PubChem (CID 56702425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).