4-[[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]methyl]-6-methylpiperazin-2-one

C16H19ClN4O — CID 146130340

IUPAC4-[[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]methyl]-6-methylpiperazin-2-one
SMILESCc1nn(-c2ccc(Cl)cc2)cc1CN1CC(=O)NC(C)C1
InChIInChI=1S/C16H19ClN4O/c1-11-7-20(10-16(22)18-11)8-13-9-21(19-12(13)2)15-5-3-14(17)4-6-15/h3-6,9,11H,7-8,10H2,1-2H3,(H,18,22)
InChIKeyBGWLWNGTCHCYOC-UHFFFAOYSA-N
MW318.81 g/mol
LogP2.15
Rot. Bonds3

About 4-[[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]methyl]-6-methylpiperazin-2-one

4-[[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]methyl]-6-methylpiperazin-2-one (PubChem CID 146130340) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is 4-[[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]methyl]-6-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]methyl]-6-methylpiperazin-2-one
PubChem CID146130340
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC Name4-[[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]methyl]-6-methylpiperazin-2-one
SMILESCc1nn(-c2ccc(Cl)cc2)cc1CN1CC(=O)NC(C)C1
InChIInChI=1S/C16H19ClN4O/c1-11-7-20(10-16(22)18-11)8-13-9-21(19-12(13)2)15-5-3-14(17)4-6-15/h3-6,9,11H,7-8,10H2,1-2H3,(H,18,22)
InChIKeyBGWLWNGTCHCYOC-UHFFFAOYSA-N
XLogP2.15
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]methyl]-6-methylpiperazin-2-one?
The IUPAC name of 4-[[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]methyl]-6-methylpiperazin-2-one (CID 146130340) is 4-[[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]methyl]-6-methylpiperazin-2-one.
What is the SMILES notation for 4-[[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]methyl]-6-methylpiperazin-2-one?
The canonical SMILES for 4-[[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]methyl]-6-methylpiperazin-2-one is Cc1nn(-c2ccc(Cl)cc2)cc1CN1CC(=O)NC(C)C1.
What is the InChIKey of 4-[[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]methyl]-6-methylpiperazin-2-one?
The InChIKey is BGWLWNGTCHCYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O/c1-11-7-20(10-16(22)18-11)8-13-9-21(19-12(13)2)15-5-3-14(17)4-6-15/h3-6,9,11H,7-8,10H2,1-2H3,(H,18,22).
What are the key properties of 4-[[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]methyl]-6-methylpiperazin-2-one?
4-[[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]methyl]-6-methylpiperazin-2-one has a molecular weight of 318.81 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]methyl]-6-methylpiperazin-2-one is sourced from PubChem (CID 146130340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).