2-cyclopropyl-4-(3,4-dimethoxyphenyl)-7-methoxyindazole

C19H20N2O3 — CID 175435832

IUPAC2-cyclopropyl-4-(3,4-dimethoxyphenyl)-7-methoxyindazole
SMILESCOc1ccc(-c2ccc(OC)c3nn(C4CC4)cc23)cc1OC
InChIInChI=1S/C19H20N2O3/c1-22-16-8-4-12(10-18(16)24-3)14-7-9-17(23-2)19-15(14)11-21(20-19)13-5-6-13/h4,7-11,13H,5-6H2,1-3H3
InChIKeyBKHAUVVSTSPOOP-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.06
Rot. Bonds5

About 2-cyclopropyl-4-(3,4-dimethoxyphenyl)-7-methoxyindazole

2-cyclopropyl-4-(3,4-dimethoxyphenyl)-7-methoxyindazole (PubChem CID 175435832) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-cyclopropyl-4-(3,4-dimethoxyphenyl)-7-methoxyindazole.

Molecular Properties

Compound Name2-cyclopropyl-4-(3,4-dimethoxyphenyl)-7-methoxyindazole
PubChem CID175435832
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name2-cyclopropyl-4-(3,4-dimethoxyphenyl)-7-methoxyindazole
SMILESCOc1ccc(-c2ccc(OC)c3nn(C4CC4)cc23)cc1OC
InChIInChI=1S/C19H20N2O3/c1-22-16-8-4-12(10-18(16)24-3)14-7-9-17(23-2)19-15(14)11-21(20-19)13-5-6-13/h4,7-11,13H,5-6H2,1-3H3
InChIKeyBKHAUVVSTSPOOP-UHFFFAOYSA-N
XLogP4.06
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(3,4-dimethoxyphenyl)-7-methoxyindazole?
The IUPAC name of 2-cyclopropyl-4-(3,4-dimethoxyphenyl)-7-methoxyindazole (CID 175435832) is 2-cyclopropyl-4-(3,4-dimethoxyphenyl)-7-methoxyindazole.
What is the SMILES notation for 2-cyclopropyl-4-(3,4-dimethoxyphenyl)-7-methoxyindazole?
The canonical SMILES for 2-cyclopropyl-4-(3,4-dimethoxyphenyl)-7-methoxyindazole is COc1ccc(-c2ccc(OC)c3nn(C4CC4)cc23)cc1OC.
What is the InChIKey of 2-cyclopropyl-4-(3,4-dimethoxyphenyl)-7-methoxyindazole?
The InChIKey is BKHAUVVSTSPOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-22-16-8-4-12(10-18(16)24-3)14-7-9-17(23-2)19-15(14)11-21(20-19)13-5-6-13/h4,7-11,13H,5-6H2,1-3H3.
What are the key properties of 2-cyclopropyl-4-(3,4-dimethoxyphenyl)-7-methoxyindazole?
2-cyclopropyl-4-(3,4-dimethoxyphenyl)-7-methoxyindazole has a molecular weight of 324.38 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(3,4-dimethoxyphenyl)-7-methoxyindazole is sourced from PubChem (CID 175435832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).