3-(4-chloroindazol-1-yl)-1-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-one

C20H20Cl2N4O — CID 95754600

IUPAC3-(4-chloroindazol-1-yl)-1-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-one
SMILESO=C(CCn1ncc2c(Cl)cccc21)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H20Cl2N4O/c21-15-4-6-16(7-5-15)24-10-12-25(13-11-24)20(27)8-9-26-19-3-1-2-18(22)17(19)14-23-26/h1-7,14H,8-13H2
InChIKeyGRSOBDYFOQTYTR-UHFFFAOYSA-N
MW403.31 g/mol
LogP4.08
Rot. Bonds4

About 3-(4-chloroindazol-1-yl)-1-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-one

3-(4-chloroindazol-1-yl)-1-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-one (PubChem CID 95754600) has the molecular formula C20H20Cl2N4O and a molecular weight of 403.31 g/mol. Its IUPAC name is 3-(4-chloroindazol-1-yl)-1-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-chloroindazol-1-yl)-1-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-one
PubChem CID95754600
Molecular FormulaC20H20Cl2N4O
Molecular Weight403.31 g/mol
Exact Mass402.10
IUPAC Name3-(4-chloroindazol-1-yl)-1-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-one
SMILESO=C(CCn1ncc2c(Cl)cccc21)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H20Cl2N4O/c21-15-4-6-16(7-5-15)24-10-12-25(13-11-24)20(27)8-9-26-19-3-1-2-18(22)17(19)14-23-26/h1-7,14H,8-13H2
InChIKeyGRSOBDYFOQTYTR-UHFFFAOYSA-N
XLogP4.08
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.31
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(5-methylindazol-1-yl)propan-1-one
CID 95754598
3-amino-1-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-one
CID 43135355
4-chloro-1-[4-(4-chlorophenyl)piperazin-1-yl]butan-1-one
CID 4159401
2-[3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione
CID 10046381
1-[3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-3-methylquinoxalin-2-one
CID 46324340
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 757895
2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]phthalazin-1-one
CID 11428942
1-[4-(4-chlorophenyl)piperazin-1-yl]-4-methylpentan-1-one
CID 90253989
3-(2,6-dichloroanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 109027122
1-[4-(4-chlorophenyl)piperazin-1-yl]octan-1-one
CID 4105444
1,2-bis[4-(4-chlorophenyl)piperazin-1-yl]ethanone
CID 122195196
1-[3-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-oxopropyl]cinnolin-4-one
CID 134051852

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloroindazol-1-yl)-1-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(4-chloroindazol-1-yl)-1-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-one (CID 95754600) is 3-(4-chloroindazol-1-yl)-1-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(4-chloroindazol-1-yl)-1-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(4-chloroindazol-1-yl)-1-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-one is O=C(CCn1ncc2c(Cl)cccc21)N1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 3-(4-chloroindazol-1-yl)-1-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-one?
The InChIKey is GRSOBDYFOQTYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N4O/c21-15-4-6-16(7-5-15)24-10-12-25(13-11-24)20(27)8-9-26-19-3-1-2-18(22)17(19)14-23-26/h1-7,14H,8-13H2.
What are the key properties of 3-(4-chloroindazol-1-yl)-1-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-one?
3-(4-chloroindazol-1-yl)-1-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-one has a molecular weight of 403.31 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloroindazol-1-yl)-1-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 95754600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).