[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-pyrazol-1-ylphenyl)methanone;hydrochloride

C18H21ClN6O — CID 120879403

IUPAC[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-pyrazol-1-ylphenyl)methanone;hydrochloride
SMILESCl.Cn1ccnc1C1CNCCN1C(=O)c1cccc(-n2cccn2)c1
InChIInChI=1S/C18H20N6O.ClH/c1-22-10-8-20-17(22)16-13-19-7-11-23(16)18(25)14-4-2-5-15(12-14)24-9-3-6-21-24;/h2-6,8-10,12,16,19H,7,11,13H2,1H3;1H
InChIKeyCHKUQMBNBYRNLY-UHFFFAOYSA-N
MW372.86 g/mol
LogP1.81
Rot. Bonds3

About [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-pyrazol-1-ylphenyl)methanone;hydrochloride

[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-pyrazol-1-ylphenyl)methanone;hydrochloride (PubChem CID 120879403) has the molecular formula C18H21ClN6O and a molecular weight of 372.86 g/mol. Its IUPAC name is [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-pyrazol-1-ylphenyl)methanone;hydrochloride.

Molecular Properties

Compound Name[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-pyrazol-1-ylphenyl)methanone;hydrochloride
PubChem CID120879403
Molecular FormulaC18H21ClN6O
Molecular Weight372.86 g/mol
Exact Mass372.15
IUPAC Name[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-pyrazol-1-ylphenyl)methanone;hydrochloride
SMILESCl.Cn1ccnc1C1CNCCN1C(=O)c1cccc(-n2cccn2)c1
InChIInChI=1S/C18H20N6O.ClH/c1-22-10-8-20-17(22)16-13-19-7-11-23(16)18(25)14-4-2-5-15(12-14)24-9-3-6-21-24;/h2-6,8-10,12,16,19H,7,11,13H2,1H3;1H
InChIKeyCHKUQMBNBYRNLY-UHFFFAOYSA-N
XLogP1.81
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.86
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 120877640
[1-(3-chlorophenyl)pyrazol-4-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120880813
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 120880628
(3,4-difluorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120880181
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-pyridin-3-ylmethanone;dihydrochloride
CID 120878927
(3,4-difluorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120880182
(3-cyclopentyloxyphenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120879589
2,3-dihydro-1H-inden-5-yl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120880409
(3-cyclopentyloxyphenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120879590
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-[3-(1,3-thiazol-4-yl)phenyl]methanone
CID 120877682
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 120878912
(3,5-dichlorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120880230

Frequently Asked Questions

What is the IUPAC name of [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-pyrazol-1-ylphenyl)methanone;hydrochloride?
The IUPAC name of [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-pyrazol-1-ylphenyl)methanone;hydrochloride (CID 120879403) is [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-pyrazol-1-ylphenyl)methanone;hydrochloride.
What is the SMILES notation for [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-pyrazol-1-ylphenyl)methanone;hydrochloride?
The canonical SMILES for [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-pyrazol-1-ylphenyl)methanone;hydrochloride is Cl.Cn1ccnc1C1CNCCN1C(=O)c1cccc(-n2cccn2)c1.
What is the InChIKey of [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-pyrazol-1-ylphenyl)methanone;hydrochloride?
The InChIKey is CHKUQMBNBYRNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O.ClH/c1-22-10-8-20-17(22)16-13-19-7-11-23(16)18(25)14-4-2-5-15(12-14)24-9-3-6-21-24;/h2-6,8-10,12,16,19H,7,11,13H2,1H3;1H.
What are the key properties of [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-pyrazol-1-ylphenyl)methanone;hydrochloride?
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-pyrazol-1-ylphenyl)methanone;hydrochloride has a molecular weight of 372.86 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-pyrazol-1-ylphenyl)methanone;hydrochloride is sourced from PubChem (CID 120879403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).