[4-(3-chlorophenyl)piperazin-1-yl]-(5-ethyl-1-pyridin-2-ylpyrazol-4-yl)methanone

C21H22ClN5O — CID 55650522

IUPAC[4-(3-chlorophenyl)piperazin-1-yl]-(5-ethyl-1-pyridin-2-ylpyrazol-4-yl)methanone
SMILESCCc1c(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cnn1-c1ccccn1
InChIInChI=1S/C21H22ClN5O/c1-2-19-18(15-24-27(19)20-8-3-4-9-23-20)21(28)26-12-10-25(11-13-26)17-7-5-6-16(22)14-17/h3-9,14-15H,2,10-13H2,1H3
InChIKeyVYPVKWJWEBNYNG-UHFFFAOYSA-N
MW395.89 g/mol
LogP3.45
Rot. Bonds4

About [4-(3-chlorophenyl)piperazin-1-yl]-(5-ethyl-1-pyridin-2-ylpyrazol-4-yl)methanone

[4-(3-chlorophenyl)piperazin-1-yl]-(5-ethyl-1-pyridin-2-ylpyrazol-4-yl)methanone (PubChem CID 55650522) has the molecular formula C21H22ClN5O and a molecular weight of 395.89 g/mol. Its IUPAC name is [4-(3-chlorophenyl)piperazin-1-yl]-(5-ethyl-1-pyridin-2-ylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(3-chlorophenyl)piperazin-1-yl]-(5-ethyl-1-pyridin-2-ylpyrazol-4-yl)methanone
PubChem CID55650522
Molecular FormulaC21H22ClN5O
Molecular Weight395.89 g/mol
Exact Mass395.15
IUPAC Name[4-(3-chlorophenyl)piperazin-1-yl]-(5-ethyl-1-pyridin-2-ylpyrazol-4-yl)methanone
SMILESCCc1c(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cnn1-c1ccccn1
InChIInChI=1S/C21H22ClN5O/c1-2-19-18(15-24-27(19)20-8-3-4-9-23-20)21(28)26-12-10-25(11-13-26)17-7-5-6-16(22)14-17/h3-9,14-15H,2,10-13H2,1H3
InChIKeyVYPVKWJWEBNYNG-UHFFFAOYSA-N
XLogP3.45
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(3-chlorophenyl)-5-ethylpyrazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 31853159
1-[4-(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)piperazin-1-yl]-2-pyridin-2-ylethanone
CID 56522038
1-[4-[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 52654373
(1-benzyl-5-ethylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 78874273
[1-(3-chlorophenyl)-5-ethylpyrazol-4-yl]-(4-cyclopentylpiperazin-1-yl)methanone
CID 55596430
[4-[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 38908946
[1-(3-chlorophenyl)-5-ethylpyrazol-4-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
CID 56533804
3-[4-(3-chlorophenyl)piperazin-1-yl]-1-(5-ethyl-1-pyrimidin-2-ylpyrazol-4-yl)-2-methylpropan-1-one
CID 10575042
6-[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175288
[5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 31860015
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(5-ethyl-1-pyridin-2-ylpyrazol-4-yl)methanone
CID 38027002
(1-benzyl-5-ethylpyrazol-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 78873065

Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-(5-ethyl-1-pyridin-2-ylpyrazol-4-yl)methanone?
The IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-(5-ethyl-1-pyridin-2-ylpyrazol-4-yl)methanone (CID 55650522) is [4-(3-chlorophenyl)piperazin-1-yl]-(5-ethyl-1-pyridin-2-ylpyrazol-4-yl)methanone.
What is the SMILES notation for [4-(3-chlorophenyl)piperazin-1-yl]-(5-ethyl-1-pyridin-2-ylpyrazol-4-yl)methanone?
The canonical SMILES for [4-(3-chlorophenyl)piperazin-1-yl]-(5-ethyl-1-pyridin-2-ylpyrazol-4-yl)methanone is CCc1c(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cnn1-c1ccccn1.
What is the InChIKey of [4-(3-chlorophenyl)piperazin-1-yl]-(5-ethyl-1-pyridin-2-ylpyrazol-4-yl)methanone?
The InChIKey is VYPVKWJWEBNYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN5O/c1-2-19-18(15-24-27(19)20-8-3-4-9-23-20)21(28)26-12-10-25(11-13-26)17-7-5-6-16(22)14-17/h3-9,14-15H,2,10-13H2,1H3.
What are the key properties of [4-(3-chlorophenyl)piperazin-1-yl]-(5-ethyl-1-pyridin-2-ylpyrazol-4-yl)methanone?
[4-(3-chlorophenyl)piperazin-1-yl]-(5-ethyl-1-pyridin-2-ylpyrazol-4-yl)methanone has a molecular weight of 395.89 g/mol, XLogP of 3.45, 4 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]-(5-ethyl-1-pyridin-2-ylpyrazol-4-yl)methanone is sourced from PubChem (CID 55650522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).