4-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]benzonitrile

C15H15N5O — CID 133336956

IUPAC4-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]benzonitrile
SMILESCn1cc(N2CCN(c3ccc(C#N)cc3)CC2=O)cn1
InChIInChI=1S/C15H15N5O/c1-18-10-14(9-17-18)20-7-6-19(11-15(20)21)13-4-2-12(8-16)3-5-13/h2-5,9-10H,6-7,11H2,1H3
InChIKeyPXVGWHUJBDJXOS-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.14
Rot. Bonds2

About 4-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]benzonitrile

4-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]benzonitrile (PubChem CID 133336956) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 4-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]benzonitrile.

Molecular Properties

Compound Name4-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]benzonitrile
PubChem CID133336956
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name4-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]benzonitrile
SMILESCn1cc(N2CCN(c3ccc(C#N)cc3)CC2=O)cn1
InChIInChI=1S/C15H15N5O/c1-18-10-14(9-17-18)20-7-6-19(11-15(20)21)13-4-2-12(8-16)3-5-13/h2-5,9-10H,6-7,11H2,1H3
InChIKeyPXVGWHUJBDJXOS-UHFFFAOYSA-N
XLogP1.14
TPSA65.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]-3-nitrobenzonitrile
CID 71861507
4-(4-methyl-3-oxopiperazin-1-yl)benzonitrile
CID 64681400
5,6-dimethyl-3-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]pyridazine-4-carbonitrile
CID 133336898
1-(1-methylpyrazol-4-yl)-4-(2-methyl-4-pyridinyl)piperazin-2-one
CID 133490452
4-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]quinoline-3-carbonitrile
CID 133336920
4-(4-methyl-3-oxo-1,4-diazepan-1-yl)benzonitrile
CID 102846620
4-(4,6-dimethylpyrimidin-2-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 71976819
6,8-dimethyl-4-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]quinoline-3-carbonitrile
CID 133336885
1-(1-methylpyrazol-4-yl)-4-(3-methylquinoxalin-2-yl)piperazin-2-one
CID 133336819
5-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]pyrazine-2-carboxylic acid
CID 122054198
4-chloro-2-methyl-5-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]pyridazin-3-one
CID 133336960
4-(4-methylpiperazin-1-yl)benzonitrile
CID 763205

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]benzonitrile?
The IUPAC name of 4-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]benzonitrile (CID 133336956) is 4-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]benzonitrile.
What is the SMILES notation for 4-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]benzonitrile?
The canonical SMILES for 4-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]benzonitrile is Cn1cc(N2CCN(c3ccc(C#N)cc3)CC2=O)cn1.
What is the InChIKey of 4-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]benzonitrile?
The InChIKey is PXVGWHUJBDJXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-18-10-14(9-17-18)20-7-6-19(11-15(20)21)13-4-2-12(8-16)3-5-13/h2-5,9-10H,6-7,11H2,1H3.
What are the key properties of 4-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]benzonitrile?
4-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]benzonitrile has a molecular weight of 281.32 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]benzonitrile is sourced from PubChem (CID 133336956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).