1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(1H-pyrazol-5-yl)ethanone;dihydrochloride

C15H19Cl3N4O — CID 120738581

IUPAC1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(1H-pyrazol-5-yl)ethanone;dihydrochloride
SMILESCl.Cl.O=C(Cc1ccn[nH]1)N1CCNCC1c1ccccc1Cl
InChIInChI=1S/C15H17ClN4O.2ClH/c16-13-4-2-1-3-12(13)14-10-17-7-8-20(14)15(21)9-11-5-6-18-19-11;;/h1-6,14,17H,7-10H2,(H,18,19);2*1H
InChIKeyWNHNVTNYOBODOE-UHFFFAOYSA-N
MW377.70 g/mol
LogP2.62
Rot. Bonds3

About 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(1H-pyrazol-5-yl)ethanone;dihydrochloride

1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(1H-pyrazol-5-yl)ethanone;dihydrochloride (PubChem CID 120738581) has the molecular formula C15H19Cl3N4O and a molecular weight of 377.70 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(1H-pyrazol-5-yl)ethanone;dihydrochloride.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(1H-pyrazol-5-yl)ethanone;dihydrochloride
PubChem CID120738581
Molecular FormulaC15H19Cl3N4O
Molecular Weight377.70 g/mol
Exact Mass376.06
IUPAC Name1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(1H-pyrazol-5-yl)ethanone;dihydrochloride
SMILESCl.Cl.O=C(Cc1ccn[nH]1)N1CCNCC1c1ccccc1Cl
InChIInChI=1S/C15H17ClN4O.2ClH/c16-13-4-2-1-3-12(13)14-10-17-7-8-20(14)15(21)9-11-5-6-18-19-11;;/h1-6,14,17H,7-10H2,(H,18,19);2*1H
InChIKeyWNHNVTNYOBODOE-UHFFFAOYSA-N
XLogP2.62
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.70
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(1H-pyrazol-5-yl)ethanone;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

1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-(1H-pyrazol-5-yl)ethanone;dihydrochloride
CID 120733408
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(2-methylphenyl)ethanone
CID 120739908
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-thiophen-3-ylethanone;hydrochloride
CID 120739461
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(1H-pyrazol-5-yl)ethanone;dihydrochloride
CID 120736155
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-pyridin-4-ylsulfanylethanone;hydrochloride
CID 120739005
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-methylbutan-1-one;hydrochloride
CID 120739225
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone;hydrochloride
CID 120738843
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-ethoxypropan-1-one;hydrochloride
CID 120738226
N-[4-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]phenyl]acetamide;hydrochloride
CID 120739887
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-ethylbutan-1-one;hydrochloride
CID 120739465
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(1H-1,2,4-triazol-5-yl)propan-1-one
CID 120738786
1-[2-(2-chlorophenyl)piperazin-1-yl]hexan-1-one;hydrochloride
CID 120739229

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(1H-pyrazol-5-yl)ethanone;dihydrochloride?
The IUPAC name of 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(1H-pyrazol-5-yl)ethanone;dihydrochloride (CID 120738581) is 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(1H-pyrazol-5-yl)ethanone;dihydrochloride.
What is the SMILES notation for 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(1H-pyrazol-5-yl)ethanone;dihydrochloride?
The canonical SMILES for 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(1H-pyrazol-5-yl)ethanone;dihydrochloride is Cl.Cl.O=C(Cc1ccn[nH]1)N1CCNCC1c1ccccc1Cl.
What is the InChIKey of 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(1H-pyrazol-5-yl)ethanone;dihydrochloride?
The InChIKey is WNHNVTNYOBODOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O.2ClH/c16-13-4-2-1-3-12(13)14-10-17-7-8-20(14)15(21)9-11-5-6-18-19-11;;/h1-6,14,17H,7-10H2,(H,18,19);2*1H.
What are the key properties of 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(1H-pyrazol-5-yl)ethanone;dihydrochloride?
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(1H-pyrazol-5-yl)ethanone;dihydrochloride has a molecular weight of 377.70 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(1H-pyrazol-5-yl)ethanone;dihydrochloride is sourced from PubChem (CID 120738581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).