2-(1-methylimidazol-2-yl)-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]piperazine;hydrochloride

C18H23ClN6 — CID 120912333

IUPAC2-(1-methylimidazol-2-yl)-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]piperazine;hydrochloride
SMILESCl.Cn1ccnc1C1CNCCN1Cc1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C18H22N6.ClH/c1-23-9-8-20-18(23)17-12-19-7-10-24(17)13-15-11-16(22-21-15)14-5-3-2-4-6-14;/h2-6,8-9,11,17,19H,7,10,12-13H2,1H3,(H,21,22);1H
InChIKeyBPAOZZSRSPLQDZ-UHFFFAOYSA-N
MW358.88 g/mol
LogP2.38
Rot. Bonds4

About 2-(1-methylimidazol-2-yl)-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]piperazine;hydrochloride

2-(1-methylimidazol-2-yl)-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]piperazine;hydrochloride (PubChem CID 120912333) has the molecular formula C18H23ClN6 and a molecular weight of 358.88 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]piperazine;hydrochloride.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]piperazine;hydrochloride
PubChem CID120912333
Molecular FormulaC18H23ClN6
Molecular Weight358.88 g/mol
Exact Mass358.17
IUPAC Name2-(1-methylimidazol-2-yl)-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]piperazine;hydrochloride
SMILESCl.Cn1ccnc1C1CNCCN1Cc1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C18H22N6.ClH/c1-23-9-8-20-18(23)17-12-19-7-10-24(17)13-15-11-16(22-21-15)14-5-3-2-4-6-14;/h2-6,8-9,11,17,19H,7,10,12-13H2,1H3,(H,21,22);1H
InChIKeyBPAOZZSRSPLQDZ-UHFFFAOYSA-N
XLogP2.38
TPSA61.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.88
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-phenyl-1,2-oxazole;hydrochloride
CID 120967347
1-[(1-benzylimidazol-2-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120912277
1-[(4-fluorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120869959
5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-3-(4-methylphenyl)-1,2-oxazole;hydrochloride
CID 120871220
3-(4-fluorophenyl)-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,2-oxazole;hydrochloride
CID 120870512
2-(1-methylimidazol-2-yl)-1-(2-phenylpropyl)piperazine;hydrochloride
CID 120911731
1-[(2,6-dichlorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120870214
2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 120869739
2-(1-methylimidazol-2-yl)-1-[(2-methyl-3-pyridinyl)methyl]piperazine
CID 120912116
1-[(2,3-difluorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120869814
1-[(2,5-dichlorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120870280
2-(1-methylimidazol-2-yl)-1-[(1-phenyltetrazol-5-yl)methyl]piperazine
CID 120870731

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]piperazine;hydrochloride?
The IUPAC name of 2-(1-methylimidazol-2-yl)-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]piperazine;hydrochloride (CID 120912333) is 2-(1-methylimidazol-2-yl)-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]piperazine;hydrochloride.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]piperazine;hydrochloride?
The canonical SMILES for 2-(1-methylimidazol-2-yl)-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]piperazine;hydrochloride is Cl.Cn1ccnc1C1CNCCN1Cc1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of 2-(1-methylimidazol-2-yl)-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]piperazine;hydrochloride?
The InChIKey is BPAOZZSRSPLQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6.ClH/c1-23-9-8-20-18(23)17-12-19-7-10-24(17)13-15-11-16(22-21-15)14-5-3-2-4-6-14;/h2-6,8-9,11,17,19H,7,10,12-13H2,1H3,(H,21,22);1H.
What are the key properties of 2-(1-methylimidazol-2-yl)-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]piperazine;hydrochloride?
2-(1-methylimidazol-2-yl)-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]piperazine;hydrochloride has a molecular weight of 358.88 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]piperazine;hydrochloride is sourced from PubChem (CID 120912333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).