7-chloro-1-cyclopentyl-3-[(4-methoxyphenyl)methyl]indazole

C20H21ClN2O — CID 68885759

IUPAC7-chloro-1-cyclopentyl-3-[(4-methoxyphenyl)methyl]indazole
SMILESCOc1ccc(Cc2nn(C3CCCC3)c3c(Cl)cccc23)cc1
InChIInChI=1S/C20H21ClN2O/c1-24-16-11-9-14(10-12-16)13-19-17-7-4-8-18(21)20(17)23(22-19)15-5-2-3-6-15/h4,7-12,15H,2-3,5-6,13H2,1H3
InChIKeyMUFGEZLOIZOFAH-UHFFFAOYSA-N
MW340.85 g/mol
LogP5.40
Rot. Bonds4

About 7-chloro-1-cyclopentyl-3-[(4-methoxyphenyl)methyl]indazole

7-chloro-1-cyclopentyl-3-[(4-methoxyphenyl)methyl]indazole (PubChem CID 68885759) has the molecular formula C20H21ClN2O and a molecular weight of 340.85 g/mol. Its IUPAC name is 7-chloro-1-cyclopentyl-3-[(4-methoxyphenyl)methyl]indazole.

Molecular Properties

Compound Name7-chloro-1-cyclopentyl-3-[(4-methoxyphenyl)methyl]indazole
PubChem CID68885759
Molecular FormulaC20H21ClN2O
Molecular Weight340.85 g/mol
Exact Mass340.13
IUPAC Name7-chloro-1-cyclopentyl-3-[(4-methoxyphenyl)methyl]indazole
SMILESCOc1ccc(Cc2nn(C3CCCC3)c3c(Cl)cccc23)cc1
InChIInChI=1S/C20H21ClN2O/c1-24-16-11-9-14(10-12-16)13-19-17-7-4-8-18(21)20(17)23(22-19)15-5-2-3-6-15/h4,7-12,15H,2-3,5-6,13H2,1H3
InChIKeyMUFGEZLOIZOFAH-UHFFFAOYSA-N
XLogP5.40
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.85
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-cyclopentyl-3-[(4-methoxyphenyl)methyl]indazole?
The IUPAC name of 7-chloro-1-cyclopentyl-3-[(4-methoxyphenyl)methyl]indazole (CID 68885759) is 7-chloro-1-cyclopentyl-3-[(4-methoxyphenyl)methyl]indazole.
What is the SMILES notation for 7-chloro-1-cyclopentyl-3-[(4-methoxyphenyl)methyl]indazole?
The canonical SMILES for 7-chloro-1-cyclopentyl-3-[(4-methoxyphenyl)methyl]indazole is COc1ccc(Cc2nn(C3CCCC3)c3c(Cl)cccc23)cc1.
What is the InChIKey of 7-chloro-1-cyclopentyl-3-[(4-methoxyphenyl)methyl]indazole?
The InChIKey is MUFGEZLOIZOFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O/c1-24-16-11-9-14(10-12-16)13-19-17-7-4-8-18(21)20(17)23(22-19)15-5-2-3-6-15/h4,7-12,15H,2-3,5-6,13H2,1H3.
What are the key properties of 7-chloro-1-cyclopentyl-3-[(4-methoxyphenyl)methyl]indazole?
7-chloro-1-cyclopentyl-3-[(4-methoxyphenyl)methyl]indazole has a molecular weight of 340.85 g/mol, XLogP of 5.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-cyclopentyl-3-[(4-methoxyphenyl)methyl]indazole is sourced from PubChem (CID 68885759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).