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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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).