1-(1-methylpyrazol-4-yl)piperazin-2-one;dihydrochloride

C8H14Cl2N4O — CID 170914050

IUPAC1-(1-methylpyrazol-4-yl)piperazin-2-one;dihydrochloride
SMILESCl.Cl.Cn1cc(N2CCNCC2=O)cn1
InChIInChI=1S/C8H12N4O.2ClH/c1-11-6-7(4-10-11)12-3-2-9-5-8(12)13;;/h4,6,9H,2-3,5H2,1H3;2*1H
InChIKeyYMVRFHLKHOSNPU-UHFFFAOYSA-N
MW253.13 g/mol
LogP0.20
Rot. Bonds1

About 1-(1-methylpyrazol-4-yl)piperazin-2-one;dihydrochloride

1-(1-methylpyrazol-4-yl)piperazin-2-one;dihydrochloride (PubChem CID 170914050) has the molecular formula C8H14Cl2N4O and a molecular weight of 253.13 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)piperazin-2-one;dihydrochloride.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)piperazin-2-one;dihydrochloride
PubChem CID170914050
Molecular FormulaC8H14Cl2N4O
Molecular Weight253.13 g/mol
Exact Mass252.05
IUPAC Name1-(1-methylpyrazol-4-yl)piperazin-2-one;dihydrochloride
SMILESCl.Cl.Cn1cc(N2CCNCC2=O)cn1
InChIInChI=1S/C8H12N4O.2ClH/c1-11-6-7(4-10-11)12-3-2-9-5-8(12)13;;/h4,6,9H,2-3,5H2,1H3;2*1H
InChIKeyYMVRFHLKHOSNPU-UHFFFAOYSA-N
XLogP0.20
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.13
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1-methylpyrazol-4-yl)piperazin-2-one;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-amino-1H-pyrazol-1-yl)-N-methylacetamide
CID 28065173
2-(4-amino-1H-pyrazol-1-yl)acetamide
CID 28373947
2-(4-Amino-1h-pyrazol-1-yl)-1-(piperidin-1-yl)ethan-1-one
CID 28313578
2-(4-amino-1H-pyrazol-1-yl)-N-cyclopropylacetamide
CID 28373958
2-(4-amino-1H-pyrazol-1-yl)-N,N-dimethylacetamide
CID 28280666
2-(4-amino-1H-pyrazol-1-yl)-1-(4-methylpiperazin-1-yl)ethan-1-one
CID 28379290
3-amino-1-(1-methyl-1H-pyrazol-4-yl)piperidin-2-one
CID 54593545
1-(1-methyl-1H-pyrazol-4-yl)piperazine
CID 56828582
1-(1-Methyl-1H-pyrazol-4-yl)-2-piperazinone
CID 64263444
5-(4-Amino-1H-pyrazol-1-YL)piperidin-2-one
CID 67076055
3-(4-amino-1H-pyrazol-1-yl)pyrrolidin-2-one
CID 137698641
N-(1-ethylpyrazol-4-yl)-1-[1-oxo-1-(propylamino)propan-2-yl]piperidine-4-carboxamide
CID 51098380

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)piperazin-2-one;dihydrochloride?
The IUPAC name of 1-(1-methylpyrazol-4-yl)piperazin-2-one;dihydrochloride (CID 170914050) is 1-(1-methylpyrazol-4-yl)piperazin-2-one;dihydrochloride.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)piperazin-2-one;dihydrochloride?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)piperazin-2-one;dihydrochloride is Cl.Cl.Cn1cc(N2CCNCC2=O)cn1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)piperazin-2-one;dihydrochloride?
The InChIKey is YMVRFHLKHOSNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O.2ClH/c1-11-6-7(4-10-11)12-3-2-9-5-8(12)13;;/h4,6,9H,2-3,5H2,1H3;2*1H.
What are the key properties of 1-(1-methylpyrazol-4-yl)piperazin-2-one;dihydrochloride?
1-(1-methylpyrazol-4-yl)piperazin-2-one;dihydrochloride has a molecular weight of 253.13 g/mol, XLogP of 0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)piperazin-2-one;dihydrochloride is sourced from PubChem (CID 170914050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).