[2-(2-chlorophenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-6-yl)methanone

C18H21ClN4O — CID 120738143

IUPAC[2-(2-chlorophenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-6-yl)methanone
SMILESO=C(C1CCc2cn[nH]c2C1)N1CCNCC1c1ccccc1Cl
InChIInChI=1S/C18H21ClN4O/c19-15-4-2-1-3-14(15)17-11-20-7-8-23(17)18(24)12-5-6-13-10-21-22-16(13)9-12/h1-4,10,12,17,20H,5-9,11H2,(H,21,22)
InChIKeyVJBFJSIJPJKYMU-UHFFFAOYSA-N
MW344.85 g/mol
LogP2.34
Rot. Bonds2

About [2-(2-chlorophenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-6-yl)methanone

[2-(2-chlorophenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-6-yl)methanone (PubChem CID 120738143) has the molecular formula C18H21ClN4O and a molecular weight of 344.85 g/mol. Its IUPAC name is [2-(2-chlorophenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-6-yl)methanone.

Molecular Properties

Compound Name[2-(2-chlorophenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-6-yl)methanone
PubChem CID120738143
Molecular FormulaC18H21ClN4O
Molecular Weight344.85 g/mol
Exact Mass344.14
IUPAC Name[2-(2-chlorophenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-6-yl)methanone
SMILESO=C(C1CCc2cn[nH]c2C1)N1CCNCC1c1ccccc1Cl
InChIInChI=1S/C18H21ClN4O/c19-15-4-2-1-3-14(15)17-11-20-7-8-23(17)18(24)12-5-6-13-10-21-22-16(13)9-12/h1-4,10,12,17,20H,5-9,11H2,(H,21,22)
InChIKeyVJBFJSIJPJKYMU-UHFFFAOYSA-N
XLogP2.34
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.85
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-chlorophenyl)piperazin-1-yl]-cyclopentylmethanone
CID 120739912
4-[2-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-2-one
CID 120739774
(2S,5R)-5-[2-(2-chlorophenyl)piperazine-1-carbonyl]oxolane-2-carboxylic acid
CID 136589492
[2-(2-methylphenyl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone
CID 166185575
[2-(2-chlorophenyl)piperazin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride
CID 120738675
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(1H-pyrazol-5-yl)ethanone;dihydrochloride
CID 120738581
[2-(2-chlorophenyl)piperazin-1-yl]-(3-chloro-4-pyridinyl)methanone
CID 120738818
1-[3-[2-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone;hydrochloride
CID 120739391
[2-(2-chlorophenyl)piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-4-yl)methanone;dihydrochloride
CID 120739715
[2-(2-chlorophenyl)piperazin-1-yl]-(5-methyl-1H-indazol-7-yl)methanone
CID 120739788
[2-(2-chlorophenyl)piperazin-1-yl]-(thiadiazol-5-yl)methanone;hydrochloride
CID 120738665
[2-(2-chlorophenyl)piperazin-1-yl]-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone
CID 120738147

Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-6-yl)methanone?
The IUPAC name of [2-(2-chlorophenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-6-yl)methanone (CID 120738143) is [2-(2-chlorophenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-6-yl)methanone.
What is the SMILES notation for [2-(2-chlorophenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-6-yl)methanone?
The canonical SMILES for [2-(2-chlorophenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-6-yl)methanone is O=C(C1CCc2cn[nH]c2C1)N1CCNCC1c1ccccc1Cl.
What is the InChIKey of [2-(2-chlorophenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-6-yl)methanone?
The InChIKey is VJBFJSIJPJKYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O/c19-15-4-2-1-3-14(15)17-11-20-7-8-23(17)18(24)12-5-6-13-10-21-22-16(13)9-12/h1-4,10,12,17,20H,5-9,11H2,(H,21,22).
What are the key properties of [2-(2-chlorophenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-6-yl)methanone?
[2-(2-chlorophenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-6-yl)methanone has a molecular weight of 344.85 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-6-yl)methanone is sourced from PubChem (CID 120738143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).