[4-(4-chlorophenyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone

C18H17ClN4O — CID 166189721

IUPAC[4-(4-chlorophenyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone
SMILESO=C(c1cccc2[nH]ncc12)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H17ClN4O/c19-13-4-6-14(7-5-13)22-8-10-23(11-9-22)18(24)15-2-1-3-17-16(15)12-20-21-17/h1-7,12H,8-11H2,(H,20,21)
InChIKeyFVEWRKGHHYCJBJ-UHFFFAOYSA-N
MW340.81 g/mol
LogP3.18
Rot. Bonds2

About [4-(4-chlorophenyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone

[4-(4-chlorophenyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone (PubChem CID 166189721) has the molecular formula C18H17ClN4O and a molecular weight of 340.81 g/mol. Its IUPAC name is [4-(4-chlorophenyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(4-chlorophenyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone
PubChem CID166189721
Molecular FormulaC18H17ClN4O
Molecular Weight340.81 g/mol
Exact Mass340.11
IUPAC Name[4-(4-chlorophenyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone
SMILESO=C(c1cccc2[nH]ncc12)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H17ClN4O/c19-13-4-6-14(7-5-13)22-8-10-23(11-9-22)18(24)15-2-1-3-17-16(15)12-20-21-17/h1-7,12H,8-11H2,(H,20,21)
InChIKeyFVEWRKGHHYCJBJ-UHFFFAOYSA-N
XLogP3.18
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(3-hydroxyphenyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone
CID 166229211
[4-(2,5-dichlorophenyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone
CID 166328389
1H-indazol-4-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 166207015
[4-(2-hydroxyethyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone
CID 110468728
1H-indazol-4-yl-(4-phenylpiperidin-1-yl)methanone
CID 166207032
[4-(3-chlorophenyl)piperazin-1-yl]-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methanone
CID 16596749
N-(4-chlorophenyl)-1-(1H-indazole-4-carbonyl)piperidine-3-carboxamide
CID 121317957
1H-indazol-4-yl-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone
CID 166207018
7-amino-2-(1H-indazole-4-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 166242481
1H-indazol-4-yl-[4-(2-methylpropoxy)piperidin-1-yl]methanone
CID 51090766
1H-indazol-3-yl-(4-phenylpiperazin-1-yl)methanone
CID 7595065
1,4-diazabicyclo[3.2.2]nonan-4-yl(1H-indazol-4-yl)methanone
CID 11514570

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone?
The IUPAC name of [4-(4-chlorophenyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone (CID 166189721) is [4-(4-chlorophenyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone.
What is the SMILES notation for [4-(4-chlorophenyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone?
The canonical SMILES for [4-(4-chlorophenyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone is O=C(c1cccc2[nH]ncc12)N1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of [4-(4-chlorophenyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone?
The InChIKey is FVEWRKGHHYCJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O/c19-13-4-6-14(7-5-13)22-8-10-23(11-9-22)18(24)15-2-1-3-17-16(15)12-20-21-17/h1-7,12H,8-11H2,(H,20,21).
What are the key properties of [4-(4-chlorophenyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone?
[4-(4-chlorophenyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone has a molecular weight of 340.81 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone is sourced from PubChem (CID 166189721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).