3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-6-pyrazol-1-ylpyridazine

C20H22N6 — CID 171148555

IUPAC3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-6-pyrazol-1-ylpyridazine
SMILESC(=Cc1ccccc1)CN1CCN(c2ccc(-n3cccn3)nn2)CC1
InChIInChI=1S/C20H22N6/c1-2-6-18(7-3-1)8-4-12-24-14-16-25(17-15-24)19-9-10-20(23-22-19)26-13-5-11-21-26/h1-11,13H,12,14-17H2
InChIKeyMHFLOVXBAYUEKQ-UHFFFAOYSA-N
MW346.44 g/mol
LogP2.50
Rot. Bonds5

About 3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-6-pyrazol-1-ylpyridazine

3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-6-pyrazol-1-ylpyridazine (PubChem CID 171148555) has the molecular formula C20H22N6 and a molecular weight of 346.44 g/mol. Its IUPAC name is 3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-6-pyrazol-1-ylpyridazine.

Molecular Properties

Compound Name3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-6-pyrazol-1-ylpyridazine
PubChem CID171148555
Molecular FormulaC20H22N6
Molecular Weight346.44 g/mol
Exact Mass346.19
IUPAC Name3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-6-pyrazol-1-ylpyridazine
SMILESC(=Cc1ccccc1)CN1CCN(c2ccc(-n3cccn3)nn2)CC1
InChIInChI=1S/C20H22N6/c1-2-6-18(7-3-1)8-4-12-24-14-16-25(17-15-24)19-9-10-20(23-22-19)26-13-5-11-21-26/h1-11,13H,12,14-17H2
InChIKeyMHFLOVXBAYUEKQ-UHFFFAOYSA-N
XLogP2.50
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-6-pyrazol-1-ylpyridazine
CID 146079974
3-phenyl-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]prop-2-en-1-one
CID 71962170
N-phenyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyridazine-3-carboxamide
CID 109124061
6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide
CID 109109268
1-[(E)-3-phenylprop-2-enyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 44768199
N-(2-methoxyethyl)-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyridazine-3-carboxamide
CID 109113954
2-chloro-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazine
CID 51308937
N-phenyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine
CID 112898562
2-(4-ethylpiperazin-1-yl)-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidine
CID 112888421
3-[4-[(3,5-difluoro-4-pyridinyl)methyl]piperazin-1-yl]-6-pyrazol-1-ylpyridazine
CID 166605247
1-(2-chlorophenyl)-4-(3-phenylprop-2-enyl)piperazine
CID 757459
N'-methyl-4-[(E)-3-phenylprop-2-enyl]-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111218766

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-6-pyrazol-1-ylpyridazine?
The IUPAC name of 3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-6-pyrazol-1-ylpyridazine (CID 171148555) is 3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-6-pyrazol-1-ylpyridazine.
What is the SMILES notation for 3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-6-pyrazol-1-ylpyridazine?
The canonical SMILES for 3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-6-pyrazol-1-ylpyridazine is C(=Cc1ccccc1)CN1CCN(c2ccc(-n3cccn3)nn2)CC1.
What is the InChIKey of 3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-6-pyrazol-1-ylpyridazine?
The InChIKey is MHFLOVXBAYUEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6/c1-2-6-18(7-3-1)8-4-12-24-14-16-25(17-15-24)19-9-10-20(23-22-19)26-13-5-11-21-26/h1-11,13H,12,14-17H2.
What are the key properties of 3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-6-pyrazol-1-ylpyridazine?
3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-6-pyrazol-1-ylpyridazine has a molecular weight of 346.44 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-6-pyrazol-1-ylpyridazine is sourced from PubChem (CID 171148555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).