1-[3-(2-cyclopropyl-7-methoxyindazol-4-yl)phenyl]ethanone

C19H18N2O2 — CID 175435827

IUPAC1-[3-(2-cyclopropyl-7-methoxyindazol-4-yl)phenyl]ethanone
SMILESCOc1ccc(-c2cccc(C(C)=O)c2)c2cn(C3CC3)nc12
InChIInChI=1S/C19H18N2O2/c1-12(22)13-4-3-5-14(10-13)16-8-9-18(23-2)19-17(16)11-21(20-19)15-6-7-15/h3-5,8-11,15H,6-7H2,1-2H3
InChIKeyVNFIPUVNGIYMDT-UHFFFAOYSA-N
MW306.37 g/mol
LogP4.25
Rot. Bonds4

About 1-[3-(2-cyclopropyl-7-methoxyindazol-4-yl)phenyl]ethanone

1-[3-(2-cyclopropyl-7-methoxyindazol-4-yl)phenyl]ethanone (PubChem CID 175435827) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-[3-(2-cyclopropyl-7-methoxyindazol-4-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-(2-cyclopropyl-7-methoxyindazol-4-yl)phenyl]ethanone
PubChem CID175435827
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name1-[3-(2-cyclopropyl-7-methoxyindazol-4-yl)phenyl]ethanone
SMILESCOc1ccc(-c2cccc(C(C)=O)c2)c2cn(C3CC3)nc12
InChIInChI=1S/C19H18N2O2/c1-12(22)13-4-3-5-14(10-13)16-8-9-18(23-2)19-17(16)11-21(20-19)15-6-7-15/h3-5,8-11,15H,6-7H2,1-2H3
InChIKeyVNFIPUVNGIYMDT-UHFFFAOYSA-N
XLogP4.25
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-cyclopropyl-7-methoxyindazol-4-yl)phenyl]ethanone?
The IUPAC name of 1-[3-(2-cyclopropyl-7-methoxyindazol-4-yl)phenyl]ethanone (CID 175435827) is 1-[3-(2-cyclopropyl-7-methoxyindazol-4-yl)phenyl]ethanone.
What is the SMILES notation for 1-[3-(2-cyclopropyl-7-methoxyindazol-4-yl)phenyl]ethanone?
The canonical SMILES for 1-[3-(2-cyclopropyl-7-methoxyindazol-4-yl)phenyl]ethanone is COc1ccc(-c2cccc(C(C)=O)c2)c2cn(C3CC3)nc12.
What is the InChIKey of 1-[3-(2-cyclopropyl-7-methoxyindazol-4-yl)phenyl]ethanone?
The InChIKey is VNFIPUVNGIYMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-12(22)13-4-3-5-14(10-13)16-8-9-18(23-2)19-17(16)11-21(20-19)15-6-7-15/h3-5,8-11,15H,6-7H2,1-2H3.
What are the key properties of 1-[3-(2-cyclopropyl-7-methoxyindazol-4-yl)phenyl]ethanone?
1-[3-(2-cyclopropyl-7-methoxyindazol-4-yl)phenyl]ethanone has a molecular weight of 306.37 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-cyclopropyl-7-methoxyindazol-4-yl)phenyl]ethanone is sourced from PubChem (CID 175435827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).