1-[(4-chlorophenyl)methyl]-3-[2-(1-methylpyrrolidin-2-yl)ethoxy]indazole

C21H24ClN3O — CID 15254726

IUPAC1-[(4-chlorophenyl)methyl]-3-[2-(1-methylpyrrolidin-2-yl)ethoxy]indazole
SMILESCN1CCCC1CCOc1nn(Cc2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C21H24ClN3O/c1-24-13-4-5-18(24)12-14-26-21-19-6-2-3-7-20(19)25(23-21)15-16-8-10-17(22)11-9-16/h2-3,6-11,18H,4-5,12-15H2,1H3
InChIKeyLPZAONHKIPWLNB-UHFFFAOYSA-N
MW369.90 g/mol
LogP4.60
Rot. Bonds6

About 1-[(4-chlorophenyl)methyl]-3-[2-(1-methylpyrrolidin-2-yl)ethoxy]indazole

1-[(4-chlorophenyl)methyl]-3-[2-(1-methylpyrrolidin-2-yl)ethoxy]indazole (PubChem CID 15254726) has the molecular formula C21H24ClN3O and a molecular weight of 369.90 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-[2-(1-methylpyrrolidin-2-yl)ethoxy]indazole.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-[2-(1-methylpyrrolidin-2-yl)ethoxy]indazole
PubChem CID15254726
Molecular FormulaC21H24ClN3O
Molecular Weight369.90 g/mol
Exact Mass369.16
IUPAC Name1-[(4-chlorophenyl)methyl]-3-[2-(1-methylpyrrolidin-2-yl)ethoxy]indazole
SMILESCN1CCCC1CCOc1nn(Cc2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C21H24ClN3O/c1-24-13-4-5-18(24)12-14-26-21-19-6-2-3-7-20(19)25(23-21)15-16-8-10-17(22)11-9-16/h2-3,6-11,18H,4-5,12-15H2,1H3
InChIKeyLPZAONHKIPWLNB-UHFFFAOYSA-N
XLogP4.60
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.90
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(azepan-1-yl)propoxy]-1-[(4-chlorophenyl)methyl]indazole
CID 67964835
ethyl (2S)-1-[3-[1-[(4-chlorophenyl)methyl]indazol-3-yl]oxypropyl]pyrrolidine-2-carboxylate
CID 67964881
1-[(4-chlorophenyl)methyl]-3-(1-methylazepan-4-yl)oxyindazole
CID 15254725
1-[3-[1-[(4-chlorophenyl)methyl]indazol-3-yl]oxypropyl]pyrrolidine-3,4-diol
CID 77439773
1-[(4-chlorophenyl)methyl]-3-(1-methylpiperidin-4-yl)oxyindazole
CID 67698618
1-[(4-chlorophenyl)methyl]-N-methyl-3-[3-(2-methylpyrrolidin-1-yl)propoxy]-N-phenylindazol-5-amine
CID 77439779
N-benzyl-1-[(4-chlorophenyl)methyl]-N-methyl-3-[3-(2-methylpyrrolidin-1-yl)propoxy]indazol-5-amine
CID 77439778
(2R)-2-[2-[2-(4-chlorophenoxy)phenoxy]ethyl]-1-methylpyrrolidine
CID 124942694
5-chloro-1-[(4-chlorophenyl)methyl]-3-[3-[(3S)-3-fluoropyrrolidin-1-yl]propoxy]indazole
CID 70852749
3-(1-benzylindazol-3-yl)oxy-N,N-dimethylpropan-1-amine
CID 12555
1-methyl-2-(2-phenoxyethyl)piperidine
CID 23339547
1-[(4-chlorophenyl)methyl]-5-(5-methoxy-3-pyridinyl)-3-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]indazole
CID 67965903

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[2-(1-methylpyrrolidin-2-yl)ethoxy]indazole?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[2-(1-methylpyrrolidin-2-yl)ethoxy]indazole (CID 15254726) is 1-[(4-chlorophenyl)methyl]-3-[2-(1-methylpyrrolidin-2-yl)ethoxy]indazole.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-[2-(1-methylpyrrolidin-2-yl)ethoxy]indazole?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-[2-(1-methylpyrrolidin-2-yl)ethoxy]indazole is CN1CCCC1CCOc1nn(Cc2ccc(Cl)cc2)c2ccccc12.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-[2-(1-methylpyrrolidin-2-yl)ethoxy]indazole?
The InChIKey is LPZAONHKIPWLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O/c1-24-13-4-5-18(24)12-14-26-21-19-6-2-3-7-20(19)25(23-21)15-16-8-10-17(22)11-9-16/h2-3,6-11,18H,4-5,12-15H2,1H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-[2-(1-methylpyrrolidin-2-yl)ethoxy]indazole?
1-[(4-chlorophenyl)methyl]-3-[2-(1-methylpyrrolidin-2-yl)ethoxy]indazole has a molecular weight of 369.90 g/mol, XLogP of 4.60, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-[2-(1-methylpyrrolidin-2-yl)ethoxy]indazole is sourced from PubChem (CID 15254726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).