[2-(3-chlorophenyl)piperazin-1-yl]-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methanone

C21H22ClN5O — CID 120803399

IUPAC[2-(3-chlorophenyl)piperazin-1-yl]-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methanone
SMILESCc1cc(C)n(-c2ccc(C(=O)N3CCNCC3c3cccc(Cl)c3)cn2)n1
InChIInChI=1S/C21H22ClN5O/c1-14-10-15(2)27(25-14)20-7-6-17(12-24-20)21(28)26-9-8-23-13-19(26)16-4-3-5-18(22)11-16/h3-7,10-12,19,23H,8-9,13H2,1-2H3
InChIKeyXLZOLMMQGQNQFR-UHFFFAOYSA-N
MW395.89 g/mol
LogP3.32
Rot. Bonds3

About [2-(3-chlorophenyl)piperazin-1-yl]-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methanone

[2-(3-chlorophenyl)piperazin-1-yl]-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methanone (PubChem CID 120803399) has the molecular formula C21H22ClN5O and a molecular weight of 395.89 g/mol. Its IUPAC name is [2-(3-chlorophenyl)piperazin-1-yl]-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[2-(3-chlorophenyl)piperazin-1-yl]-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methanone
PubChem CID120803399
Molecular FormulaC21H22ClN5O
Molecular Weight395.89 g/mol
Exact Mass395.15
IUPAC Name[2-(3-chlorophenyl)piperazin-1-yl]-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methanone
SMILESCc1cc(C)n(-c2ccc(C(=O)N3CCNCC3c3cccc(Cl)c3)cn2)n1
InChIInChI=1S/C21H22ClN5O/c1-14-10-15(2)27(25-14)20-7-6-17(12-24-20)21(28)26-9-8-23-13-19(26)16-4-3-5-18(22)11-16/h3-7,10-12,19,23H,8-9,13H2,1-2H3
InChIKeyXLZOLMMQGQNQFR-UHFFFAOYSA-N
XLogP3.32
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-(2-methylpiperazin-1-yl)methanone
CID 119472573
[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-(2-methylpiperazin-1-yl)methanone;dihydrochloride
CID 119472572
[4-(3,5-dimethylpyrazol-1-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120731736
[2-(3-chlorophenyl)piperazin-1-yl]-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
CID 120801824
1-[4-[2-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]propan-1-one
CID 120802746
[3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120730175
[2-(3-chlorophenyl)piperazin-1-yl]-(5-chloro-2-pyridinyl)methanone
CID 120802965
[2-(3-chlorophenyl)piperazin-1-yl]-[4-(1H-1,2,4-triazol-5-ylmethyl)phenyl]methanone
CID 166298561
[2-(3-chlorophenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 120801994
[2-(3-chlorophenyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone;hydrochloride
CID 120803370
[2-(3-chlorophenyl)piperazin-1-yl]-pyrazin-2-ylmethanone;dihydrochloride
CID 120802029
[2-(3-chlorophenyl)piperazin-1-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
CID 120801878

Frequently Asked Questions

What is the IUPAC name of [2-(3-chlorophenyl)piperazin-1-yl]-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methanone?
The IUPAC name of [2-(3-chlorophenyl)piperazin-1-yl]-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methanone (CID 120803399) is [2-(3-chlorophenyl)piperazin-1-yl]-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methanone.
What is the SMILES notation for [2-(3-chlorophenyl)piperazin-1-yl]-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methanone?
The canonical SMILES for [2-(3-chlorophenyl)piperazin-1-yl]-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methanone is Cc1cc(C)n(-c2ccc(C(=O)N3CCNCC3c3cccc(Cl)c3)cn2)n1.
What is the InChIKey of [2-(3-chlorophenyl)piperazin-1-yl]-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methanone?
The InChIKey is XLZOLMMQGQNQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN5O/c1-14-10-15(2)27(25-14)20-7-6-17(12-24-20)21(28)26-9-8-23-13-19(26)16-4-3-5-18(22)11-16/h3-7,10-12,19,23H,8-9,13H2,1-2H3.
What are the key properties of [2-(3-chlorophenyl)piperazin-1-yl]-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methanone?
[2-(3-chlorophenyl)piperazin-1-yl]-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methanone has a molecular weight of 395.89 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chlorophenyl)piperazin-1-yl]-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methanone is sourced from PubChem (CID 120803399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).