[2-(4-ethylphenyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone;hydrochloride

C20H23ClN4O — CID 120741702

IUPAC[2-(4-ethylphenyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone;hydrochloride
SMILESCCc1ccc(C2CNCCN2C(=O)c2n[nH]c3ccccc23)cc1.Cl
InChIInChI=1S/C20H22N4O.ClH/c1-2-14-7-9-15(10-8-14)18-13-21-11-12-24(18)20(25)19-16-5-3-4-6-17(16)22-23-19;/h3-10,18,21H,2,11-13H2,1H3,(H,22,23);1H
InChIKeyZIJQSKCUIVAZNN-UHFFFAOYSA-N
MW370.88 g/mol
LogP3.33
Rot. Bonds3

About [2-(4-ethylphenyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone;hydrochloride

[2-(4-ethylphenyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone;hydrochloride (PubChem CID 120741702) has the molecular formula C20H23ClN4O and a molecular weight of 370.88 g/mol. Its IUPAC name is [2-(4-ethylphenyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[2-(4-ethylphenyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone;hydrochloride
PubChem CID120741702
Molecular FormulaC20H23ClN4O
Molecular Weight370.88 g/mol
Exact Mass370.16
IUPAC Name[2-(4-ethylphenyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone;hydrochloride
SMILESCCc1ccc(C2CNCCN2C(=O)c2n[nH]c3ccccc23)cc1.Cl
InChIInChI=1S/C20H22N4O.ClH/c1-2-14-7-9-15(10-8-14)18-13-21-11-12-24(18)20(25)19-16-5-3-4-6-17(16)22-23-19;/h3-10,18,21H,2,11-13H2,1H3,(H,22,23);1H
InChIKeyZIJQSKCUIVAZNN-UHFFFAOYSA-N
XLogP3.33
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(4-ethylphenyl)piperazine-1-carbonyl]-1-methylcinnolin-4-one
CID 120740186
[2-(4-ethylphenyl)piperazin-1-yl]-imidazo[1,2-a]pyrazin-8-ylmethanone;dihydrochloride
CID 120741050
[2-(4-ethylphenyl)piperazin-1-yl]-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone;dihydrochloride
CID 120740792
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(4-ethylpiperazin-1-yl)ethanone;dihydrochloride
CID 120740374
1-[2-(4-ethylphenyl)piperazin-1-yl]butan-1-one
CID 120740551
4-[2-(4-ethylphenyl)piperazine-1-carbonyl]benzamide;hydrochloride
CID 120740508
[2-(4-ethylphenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone;hydrochloride
CID 120740490
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-phenoxyethanone;hydrochloride
CID 120741482
[2-(4-ethylphenyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone;hydrochloride
CID 120741506
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(5-methyl-1H-pyrazol-3-yl)ethanone;hydrochloride
CID 120740892
6-[2-(4-ethylphenyl)piperazine-1-carbonyl]-2-phenylpyridazin-3-one
CID 120740250
2-(1,2-benzoxazol-3-yl)-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone
CID 120740495

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethylphenyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone;hydrochloride?
The IUPAC name of [2-(4-ethylphenyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone;hydrochloride (CID 120741702) is [2-(4-ethylphenyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone;hydrochloride.
What is the SMILES notation for [2-(4-ethylphenyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone;hydrochloride?
The canonical SMILES for [2-(4-ethylphenyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone;hydrochloride is CCc1ccc(C2CNCCN2C(=O)c2n[nH]c3ccccc23)cc1.Cl.
What is the InChIKey of [2-(4-ethylphenyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone;hydrochloride?
The InChIKey is ZIJQSKCUIVAZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O.ClH/c1-2-14-7-9-15(10-8-14)18-13-21-11-12-24(18)20(25)19-16-5-3-4-6-17(16)22-23-19;/h3-10,18,21H,2,11-13H2,1H3,(H,22,23);1H.
What are the key properties of [2-(4-ethylphenyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone;hydrochloride?
[2-(4-ethylphenyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone;hydrochloride has a molecular weight of 370.88 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethylphenyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone;hydrochloride is sourced from PubChem (CID 120741702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).