[4-(3-chlorophenyl)piperazin-1-yl]-(1-ethylpyrazol-4-yl)methanone

C16H19ClN4O — CID 35295381

IUPAC[4-(3-chlorophenyl)piperazin-1-yl]-(1-ethylpyrazol-4-yl)methanone
SMILESCCn1cc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cn1
InChIInChI=1S/C16H19ClN4O/c1-2-21-12-13(11-18-21)16(22)20-8-6-19(7-9-20)15-5-3-4-14(17)10-15/h3-5,10-12H,2,6-9H2,1H3
InChIKeyKPHUEODXDVTNSC-UHFFFAOYSA-N
MW318.81 g/mol
LogP2.52
Rot. Bonds3

About [4-(3-chlorophenyl)piperazin-1-yl]-(1-ethylpyrazol-4-yl)methanone

[4-(3-chlorophenyl)piperazin-1-yl]-(1-ethylpyrazol-4-yl)methanone (PubChem CID 35295381) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is [4-(3-chlorophenyl)piperazin-1-yl]-(1-ethylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(3-chlorophenyl)piperazin-1-yl]-(1-ethylpyrazol-4-yl)methanone
PubChem CID35295381
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC Name[4-(3-chlorophenyl)piperazin-1-yl]-(1-ethylpyrazol-4-yl)methanone
SMILESCCn1cc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cn1
InChIInChI=1S/C16H19ClN4O/c1-2-21-12-13(11-18-21)16(22)20-8-6-19(7-9-20)15-5-3-4-14(17)10-15/h3-5,10-12H,2,6-9H2,1H3
InChIKeyKPHUEODXDVTNSC-UHFFFAOYSA-N
XLogP2.52
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 1069884
[4-(3-chlorophenyl)piperazin-1-yl]-(2-methylpyrimidin-5-yl)methanone
CID 96588883
[4-(3-chlorophenyl)piperazin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 110854505
[4-(3-chlorophenyl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone
CID 1116272
[4-(3-chlorophenyl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone
CID 788974
[4-(3-chlorophenyl)piperazin-1-yl]-[5-(propylamino)-3-pyridinyl]methanone
CID 109223025
(4-bromophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 1069932
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 9183476
[6-(butan-2-ylamino)-3-pyridinyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 109151978
(1-ethylpyrazol-4-yl)-piperazin-1-ylmethanone
CID 83883921
[4-(3-chlorophenyl)piperazin-1-yl]-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone
CID 53037588
[5-(butylamino)-3-pyridinyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 109224597

Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-(1-ethylpyrazol-4-yl)methanone?
The IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-(1-ethylpyrazol-4-yl)methanone (CID 35295381) is [4-(3-chlorophenyl)piperazin-1-yl]-(1-ethylpyrazol-4-yl)methanone.
What is the SMILES notation for [4-(3-chlorophenyl)piperazin-1-yl]-(1-ethylpyrazol-4-yl)methanone?
The canonical SMILES for [4-(3-chlorophenyl)piperazin-1-yl]-(1-ethylpyrazol-4-yl)methanone is CCn1cc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cn1.
What is the InChIKey of [4-(3-chlorophenyl)piperazin-1-yl]-(1-ethylpyrazol-4-yl)methanone?
The InChIKey is KPHUEODXDVTNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O/c1-2-21-12-13(11-18-21)16(22)20-8-6-19(7-9-20)15-5-3-4-14(17)10-15/h3-5,10-12H,2,6-9H2,1H3.
What are the key properties of [4-(3-chlorophenyl)piperazin-1-yl]-(1-ethylpyrazol-4-yl)methanone?
[4-(3-chlorophenyl)piperazin-1-yl]-(1-ethylpyrazol-4-yl)methanone has a molecular weight of 318.81 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorophenyl)piperazin-1-yl]-(1-ethylpyrazol-4-yl)methanone is sourced from PubChem (CID 35295381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).