1-cyclopentyl-7-fluoro-3-(4-methoxyphenyl)indazole

C19H19FN2O — CID 68884306

IUPAC1-cyclopentyl-7-fluoro-3-(4-methoxyphenyl)indazole
SMILESCOc1ccc(-c2nn(C3CCCC3)c3c(F)cccc23)cc1
InChIInChI=1S/C19H19FN2O/c1-23-15-11-9-13(10-12-15)18-16-7-4-8-17(20)19(16)22(21-18)14-5-2-3-6-14/h4,7-12,14H,2-3,5-6H2,1H3
InChIKeyQOXNCHDNLWWLDK-UHFFFAOYSA-N
MW310.37 g/mol
LogP4.97
Rot. Bonds3

About 1-cyclopentyl-7-fluoro-3-(4-methoxyphenyl)indazole

1-cyclopentyl-7-fluoro-3-(4-methoxyphenyl)indazole (PubChem CID 68884306) has the molecular formula C19H19FN2O and a molecular weight of 310.37 g/mol. Its IUPAC name is 1-cyclopentyl-7-fluoro-3-(4-methoxyphenyl)indazole.

Molecular Properties

Compound Name1-cyclopentyl-7-fluoro-3-(4-methoxyphenyl)indazole
PubChem CID68884306
Molecular FormulaC19H19FN2O
Molecular Weight310.37 g/mol
Exact Mass310.15
IUPAC Name1-cyclopentyl-7-fluoro-3-(4-methoxyphenyl)indazole
SMILESCOc1ccc(-c2nn(C3CCCC3)c3c(F)cccc23)cc1
InChIInChI=1S/C19H19FN2O/c1-23-15-11-9-13(10-12-15)18-16-7-4-8-17(20)19(16)22(21-18)14-5-2-3-6-14/h4,7-12,14H,2-3,5-6H2,1H3
InChIKeyQOXNCHDNLWWLDK-UHFFFAOYSA-N
XLogP4.97
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-7-fluoro-3-(4-methoxyphenyl)indazole?
The IUPAC name of 1-cyclopentyl-7-fluoro-3-(4-methoxyphenyl)indazole (CID 68884306) is 1-cyclopentyl-7-fluoro-3-(4-methoxyphenyl)indazole.
What is the SMILES notation for 1-cyclopentyl-7-fluoro-3-(4-methoxyphenyl)indazole?
The canonical SMILES for 1-cyclopentyl-7-fluoro-3-(4-methoxyphenyl)indazole is COc1ccc(-c2nn(C3CCCC3)c3c(F)cccc23)cc1.
What is the InChIKey of 1-cyclopentyl-7-fluoro-3-(4-methoxyphenyl)indazole?
The InChIKey is QOXNCHDNLWWLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O/c1-23-15-11-9-13(10-12-15)18-16-7-4-8-17(20)19(16)22(21-18)14-5-2-3-6-14/h4,7-12,14H,2-3,5-6H2,1H3.
What are the key properties of 1-cyclopentyl-7-fluoro-3-(4-methoxyphenyl)indazole?
1-cyclopentyl-7-fluoro-3-(4-methoxyphenyl)indazole has a molecular weight of 310.37 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-7-fluoro-3-(4-methoxyphenyl)indazole is sourced from PubChem (CID 68884306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).