3-[2-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-2H-indazole

C20H23ClN4 — CID 21481016

IUPAC3-[2-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-2H-indazole
SMILESCc1c(Cl)cccc1N1CCN(CCc2[nH]nc3ccccc23)CC1
InChIInChI=1S/C20H23ClN4/c1-15-17(21)6-4-8-20(15)25-13-11-24(12-14-25)10-9-19-16-5-2-3-7-18(16)22-23-19/h2-8H,9-14H2,1H3,(H,22,23)
InChIKeyAQXDSOZVFFCRGW-UHFFFAOYSA-N
MW354.88 g/mol
LogP3.89
Rot. Bonds4

About 3-[2-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-2H-indazole

3-[2-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-2H-indazole (PubChem CID 21481016) has the molecular formula C20H23ClN4 and a molecular weight of 354.88 g/mol. Its IUPAC name is 3-[2-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-2H-indazole.

Molecular Properties

Compound Name3-[2-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-2H-indazole
PubChem CID21481016
Molecular FormulaC20H23ClN4
Molecular Weight354.88 g/mol
Exact Mass354.16
IUPAC Name3-[2-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-2H-indazole
SMILESCc1c(Cl)cccc1N1CCN(CCc2[nH]nc3ccccc23)CC1
InChIInChI=1S/C20H23ClN4/c1-15-17(21)6-4-8-20(15)25-13-11-24(12-14-25)10-9-19-16-5-2-3-7-18(16)22-23-19/h2-8H,9-14H2,1H3,(H,22,23)
InChIKeyAQXDSOZVFFCRGW-UHFFFAOYSA-N
XLogP3.89
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-2-methylphenyl)-4-pentylpiperazine
CID 20649335
1-(3-chloro-2-methylphenyl)-4-(5,5-dimethylhexyl)piperazine
CID 22957128
5-methoxy-3-[2-(4-phenylpiperazin-1-yl)ethyl]-2H-indazole
CID 154090742
10-[2-(2H-indazol-3-yl)ethyl]-7-(1H-indol-4-yl)-1,4-dioxa-7,10-diazaspiro[4.5]decane-2,3-dione
CID 141025475
2-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]-3-methylquinoxaline
CID 139623945
3-[2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-2H-indazole;bis(2,2,2-trifluoroacetic acid)
CID 171687033
3-[(4-benzylpiperazin-1-yl)methyl]-2H-indazole
CID 23194192
1-(2-chlorophenyl)-4-[2-(1-methylpyrazol-4-yl)ethyl]piperazine;dihydrochloride
CID 71586941
5-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]-2-methylquinoline
CID 91453986
1-(2-chloroethyl)-4-(2,3-dimethylphenyl)piperazine
CID 61286908
3-(chloromethyl)-1-[2-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-5,6-dimethoxyindazole
CID 139812432
5-[4-[2-[3-(5,6-dichloro-1,3-dihydroisoindol-2-yl)phenyl]ethyl]piperazin-1-yl]-2-methylquinoline
CID 86608443

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-2H-indazole?
The IUPAC name of 3-[2-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-2H-indazole (CID 21481016) is 3-[2-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-2H-indazole.
What is the SMILES notation for 3-[2-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-2H-indazole?
The canonical SMILES for 3-[2-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-2H-indazole is Cc1c(Cl)cccc1N1CCN(CCc2[nH]nc3ccccc23)CC1.
What is the InChIKey of 3-[2-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-2H-indazole?
The InChIKey is AQXDSOZVFFCRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4/c1-15-17(21)6-4-8-20(15)25-13-11-24(12-14-25)10-9-19-16-5-2-3-7-18(16)22-23-19/h2-8H,9-14H2,1H3,(H,22,23).
What are the key properties of 3-[2-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-2H-indazole?
3-[2-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-2H-indazole has a molecular weight of 354.88 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-2H-indazole is sourced from PubChem (CID 21481016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).