1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-pyrazol-1-ylethanone;dihydrochloride

C13H20Cl2N6O — CID 120879343

IUPAC1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-pyrazol-1-ylethanone;dihydrochloride
SMILESCl.Cl.Cn1ccnc1C1CNCCN1C(=O)Cn1cccn1
InChIInChI=1S/C13H18N6O.2ClH/c1-17-7-5-15-13(17)11-9-14-4-8-19(11)12(20)10-18-6-2-3-16-18;;/h2-3,5-7,11,14H,4,8-10H2,1H3;2*1H
InChIKeyQOUBJJVWYNDQCQ-UHFFFAOYSA-N
MW347.25 g/mol
LogP0.63
Rot. Bonds3

About 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-pyrazol-1-ylethanone;dihydrochloride

1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-pyrazol-1-ylethanone;dihydrochloride (PubChem CID 120879343) has the molecular formula C13H20Cl2N6O and a molecular weight of 347.25 g/mol. Its IUPAC name is 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-pyrazol-1-ylethanone;dihydrochloride.

Molecular Properties

Compound Name1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-pyrazol-1-ylethanone;dihydrochloride
PubChem CID120879343
Molecular FormulaC13H20Cl2N6O
Molecular Weight347.25 g/mol
Exact Mass346.11
IUPAC Name1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-pyrazol-1-ylethanone;dihydrochloride
SMILESCl.Cl.Cn1ccnc1C1CNCCN1C(=O)Cn1cccn1
InChIInChI=1S/C13H18N6O.2ClH/c1-17-7-5-15-13(17)11-9-14-4-8-19(11)12(20)10-18-6-2-3-16-18;;/h2-3,5-7,11,14H,4,8-10H2,1H3;2*1H
InChIKeyQOUBJJVWYNDQCQ-UHFFFAOYSA-N
XLogP0.63
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.25
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-ethoxyphenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120878647
2-(2-fluorophenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120879127
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 120877420
2-(2,6-dichlorophenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120880473
N-methyl-N-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]-2-pyrazol-1-ylpropanamide;dihydrochloride
CID 120880497
5,5-dimethyl-1-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 120877268
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(4-nitrophenyl)ethanone;hydrochloride
CID 120877941
2-(2-methoxyphenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120878371
2-(2,6-dimethylanilino)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;dihydrochloride
CID 120879777
1-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]quinolin-4-one;hydrochloride
CID 120879613
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-phenylbutan-1-one
CID 120880922
3-(4-ethoxyphenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one;hydrochloride
CID 120878055

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-pyrazol-1-ylethanone;dihydrochloride?
The IUPAC name of 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-pyrazol-1-ylethanone;dihydrochloride (CID 120879343) is 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-pyrazol-1-ylethanone;dihydrochloride.
What is the SMILES notation for 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-pyrazol-1-ylethanone;dihydrochloride?
The canonical SMILES for 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-pyrazol-1-ylethanone;dihydrochloride is Cl.Cl.Cn1ccnc1C1CNCCN1C(=O)Cn1cccn1.
What is the InChIKey of 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-pyrazol-1-ylethanone;dihydrochloride?
The InChIKey is QOUBJJVWYNDQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O.2ClH/c1-17-7-5-15-13(17)11-9-14-4-8-19(11)12(20)10-18-6-2-3-16-18;;/h2-3,5-7,11,14H,4,8-10H2,1H3;2*1H.
What are the key properties of 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-pyrazol-1-ylethanone;dihydrochloride?
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-pyrazol-1-ylethanone;dihydrochloride has a molecular weight of 347.25 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-pyrazol-1-ylethanone;dihydrochloride is sourced from PubChem (CID 120879343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).