[4-(3-chlorophenyl)piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone

C19H22ClN5O — CID 109111774

IUPAC[4-(3-chlorophenyl)piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
SMILESO=C(c1ccc(N2CCCC2)nn1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H22ClN5O/c20-15-4-3-5-16(14-15)23-10-12-25(13-11-23)19(26)17-6-7-18(22-21-17)24-8-1-2-9-24/h3-7,14H,1-2,8-13H2
InChIKeyPLHVWINQHVFDMB-UHFFFAOYSA-N
MW371.87 g/mol
LogP2.69
Rot. Bonds3

About [4-(3-chlorophenyl)piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone

[4-(3-chlorophenyl)piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone (PubChem CID 109111774) has the molecular formula C19H22ClN5O and a molecular weight of 371.87 g/mol. Its IUPAC name is [4-(3-chlorophenyl)piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone.

Molecular Properties

Compound Name[4-(3-chlorophenyl)piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
PubChem CID109111774
Molecular FormulaC19H22ClN5O
Molecular Weight371.87 g/mol
Exact Mass371.15
IUPAC Name[4-(3-chlorophenyl)piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
SMILESO=C(c1ccc(N2CCCC2)nn1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H22ClN5O/c20-15-4-3-5-16(14-15)23-10-12-25(13-11-23)19(26)17-6-7-18(22-21-17)24-8-1-2-9-24/h3-7,14H,1-2,8-13H2
InChIKeyPLHVWINQHVFDMB-UHFFFAOYSA-N
XLogP2.69
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

azepan-1-yl-[6-[4-(3-chlorophenyl)piperazin-1-yl]pyridazin-3-yl]methanone
CID 109124006
[6-(azepan-1-yl)pyridazin-3-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109123948
[6-[4-(3-chlorophenyl)piperazin-1-yl]pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 109124005
[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]-piperidin-1-ylmethanone
CID 109112677
[5-(azepan-1-yl)pyrazin-2-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 109286464
[2-(azepan-1-yl)-4-pyridinyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 109174449
[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 109116337
1-[4-(6-pyrrolidin-1-ylpyridazine-3-carbonyl)piperazin-1-yl]ethanone
CID 109111741
[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 121027881
1-[4-[4-(6-pyrrolidin-1-ylpyridazine-3-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 121027795
(5-chloro-1,3-dihydroisoindol-2-yl)-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 122152431
1-[4-[6-(pyrrolidine-1-carbonyl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 109111901

Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone?
The IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone (CID 109111774) is [4-(3-chlorophenyl)piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone.
What is the SMILES notation for [4-(3-chlorophenyl)piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone?
The canonical SMILES for [4-(3-chlorophenyl)piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone is O=C(c1ccc(N2CCCC2)nn1)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of [4-(3-chlorophenyl)piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone?
The InChIKey is PLHVWINQHVFDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN5O/c20-15-4-3-5-16(14-15)23-10-12-25(13-11-23)19(26)17-6-7-18(22-21-17)24-8-1-2-9-24/h3-7,14H,1-2,8-13H2.
What are the key properties of [4-(3-chlorophenyl)piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone?
[4-(3-chlorophenyl)piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone has a molecular weight of 371.87 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorophenyl)piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone is sourced from PubChem (CID 109111774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).