3-methyl-6-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]pyridazine

C19H21N5 — CID 56744043

IUPAC3-methyl-6-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]pyridazine
SMILESCc1ccc(N2CCCC(c3[nH]ncc3-c3ccccc3)C2)nn1
InChIInChI=1S/C19H21N5/c1-14-9-10-18(22-21-14)24-11-5-8-16(13-24)19-17(12-20-23-19)15-6-3-2-4-7-15/h2-4,6-7,9-10,12,16H,5,8,11,13H2,1H3,(H,20,23)
InChIKeyQZRXHNSKKQPOJW-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.56
Rot. Bonds3

About 3-methyl-6-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]pyridazine

3-methyl-6-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]pyridazine (PubChem CID 56744043) has the molecular formula C19H21N5 and a molecular weight of 319.41 g/mol. Its IUPAC name is 3-methyl-6-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]pyridazine.

Molecular Properties

Compound Name3-methyl-6-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]pyridazine
PubChem CID56744043
Molecular FormulaC19H21N5
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC Name3-methyl-6-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]pyridazine
SMILESCc1ccc(N2CCCC(c3[nH]ncc3-c3ccccc3)C2)nn1
InChIInChI=1S/C19H21N5/c1-14-9-10-18(22-21-14)24-11-5-8-16(13-24)19-17(12-20-23-19)15-6-3-2-4-7-15/h2-4,6-7,9-10,12,16H,5,8,11,13H2,1H3,(H,20,23)
InChIKeyQZRXHNSKKQPOJW-UHFFFAOYSA-N
XLogP3.56
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]pyridazine?
The IUPAC name of 3-methyl-6-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]pyridazine (CID 56744043) is 3-methyl-6-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]pyridazine.
What is the SMILES notation for 3-methyl-6-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]pyridazine?
The canonical SMILES for 3-methyl-6-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]pyridazine is Cc1ccc(N2CCCC(c3[nH]ncc3-c3ccccc3)C2)nn1.
What is the InChIKey of 3-methyl-6-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]pyridazine?
The InChIKey is QZRXHNSKKQPOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5/c1-14-9-10-18(22-21-14)24-11-5-8-16(13-24)19-17(12-20-23-19)15-6-3-2-4-7-15/h2-4,6-7,9-10,12,16H,5,8,11,13H2,1H3,(H,20,23).
What are the key properties of 3-methyl-6-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]pyridazine?
3-methyl-6-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]pyridazine has a molecular weight of 319.41 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]pyridazine is sourced from PubChem (CID 56744043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).