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

C20H23N5 — CID 56740749

IUPAC3-[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-methylpyridazine
SMILESCc1ccc(N2CCC(c3[nH]ncc3Cc3ccccc3)CC2)nn1
InChIInChI=1S/C20H23N5/c1-15-7-8-19(23-22-15)25-11-9-17(10-12-25)20-18(14-21-24-20)13-16-5-3-2-4-6-16/h2-8,14,17H,9-13H2,1H3,(H,21,24)
InChIKeyWXWQRNBUCKTGQT-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.48
Rot. Bonds4

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

3-[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-methylpyridazine (PubChem CID 56740749) has the molecular formula C20H23N5 and a molecular weight of 333.44 g/mol. Its IUPAC name is 3-[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-methylpyridazine.

Molecular Properties

Compound Name3-[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-methylpyridazine
PubChem CID56740749
Molecular FormulaC20H23N5
Molecular Weight333.44 g/mol
Exact Mass333.20
IUPAC Name3-[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-methylpyridazine
SMILESCc1ccc(N2CCC(c3[nH]ncc3Cc3ccccc3)CC2)nn1
InChIInChI=1S/C20H23N5/c1-15-7-8-19(23-22-15)25-11-9-17(10-12-25)20-18(14-21-24-20)13-16-5-3-2-4-6-16/h2-8,14,17H,9-13H2,1H3,(H,21,24)
InChIKeyWXWQRNBUCKTGQT-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

4,6-dimethyl-2-{(2E)-2-[(3-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl}pyrimidine
CID 135654413
4-[3-(4-chlorophenyl)-5-(3,5-dimethylpiperidin-1-yl)-1H-pyrazol-4-yl]pyridine
CID 23648269
4-[3-(4-chlorophenyl)-5-(4-methylpiperidin-1-yl)-1H-pyrazol-4-yl]pyridine
CID 23648270
3-(4-Fluorophenyl)-5-(Pyridin-2-Yl)-4,5,6,7-Tetrahydro-2h-Pyrazolo[4,3-C]pyridine
CID 91819625
5-(6-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)pyridazin-3-yl)-1H-indazole
CID 46891529
2,6-dimethyl-4-phenyl-1-(1H-pyrazol-5-yl)pyridin-1-ium perchlorate
CID 11100183
2-[5-(1-Phenethyl-piperidin-4-yl)-2H-pyrazol-3-yl]-pyridine
CID 10688035
N-(2-(1-benzylpiperidin-4-yl)ethyl)-4-methyl-6-phenylpyridazin-3-amine
CID 11058147
4-[[4-(4-benzyl-1H-pyrazol-5-yl)-1-piperidyl]methyl]pyridine
CID 56750906
1-(1-(6-(1-methyl-1H-pyrazol-4-yl)pyridazin-3-yl)piperidin-4-yl)indoline
CID 71585292
7-tert-butyl-5-p-tolyl-6,7-dihydro-5H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 135503520
1-(5-phenyl-1H-pyrazol-3-yl)azepane
CID 973199

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-methylpyridazine?
The IUPAC name of 3-[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-methylpyridazine (CID 56740749) is 3-[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-methylpyridazine.
What is the SMILES notation for 3-[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-methylpyridazine?
The canonical SMILES for 3-[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-methylpyridazine is Cc1ccc(N2CCC(c3[nH]ncc3Cc3ccccc3)CC2)nn1.
What is the InChIKey of 3-[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-methylpyridazine?
The InChIKey is WXWQRNBUCKTGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5/c1-15-7-8-19(23-22-15)25-11-9-17(10-12-25)20-18(14-21-24-20)13-16-5-3-2-4-6-16/h2-8,14,17H,9-13H2,1H3,(H,21,24).
What are the key properties of 3-[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-methylpyridazine?
3-[4-(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-[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-methylpyridazine is sourced from PubChem (CID 56740749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).