1-benzyl-3-[5-(nitrosomethyl)furan-2-yl]indazole

C19H15N3O2 — CID 91123404

IUPAC1-benzyl-3-[5-(nitrosomethyl)furan-2-yl]indazole
SMILESO=NCc1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1
InChIInChI=1S/C19H15N3O2/c23-20-12-15-10-11-18(24-15)19-16-8-4-5-9-17(16)22(21-19)13-14-6-2-1-3-7-14/h1-11H,12-13H2
InChIKeyWZBBHHNBWVOKIA-UHFFFAOYSA-N
MW317.35 g/mol
LogP4.61
Rot. Bonds5

About 1-benzyl-3-[5-(nitrosomethyl)furan-2-yl]indazole

1-benzyl-3-[5-(nitrosomethyl)furan-2-yl]indazole (PubChem CID 91123404) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 1-benzyl-3-[5-(nitrosomethyl)furan-2-yl]indazole.

Molecular Properties

Compound Name1-benzyl-3-[5-(nitrosomethyl)furan-2-yl]indazole
PubChem CID91123404
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC Name1-benzyl-3-[5-(nitrosomethyl)furan-2-yl]indazole
SMILESO=NCc1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1
InChIInChI=1S/C19H15N3O2/c23-20-12-15-10-11-18(24-15)19-16-8-4-5-9-17(16)22(21-19)13-14-6-2-1-3-7-14/h1-11H,12-13H2
InChIKeyWZBBHHNBWVOKIA-UHFFFAOYSA-N
XLogP4.61
TPSA60.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[5-(nitrosomethyl)furan-2-yl]indazole?
The IUPAC name of 1-benzyl-3-[5-(nitrosomethyl)furan-2-yl]indazole (CID 91123404) is 1-benzyl-3-[5-(nitrosomethyl)furan-2-yl]indazole.
What is the SMILES notation for 1-benzyl-3-[5-(nitrosomethyl)furan-2-yl]indazole?
The canonical SMILES for 1-benzyl-3-[5-(nitrosomethyl)furan-2-yl]indazole is O=NCc1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1.
What is the InChIKey of 1-benzyl-3-[5-(nitrosomethyl)furan-2-yl]indazole?
The InChIKey is WZBBHHNBWVOKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2/c23-20-12-15-10-11-18(24-15)19-16-8-4-5-9-17(16)22(21-19)13-14-6-2-1-3-7-14/h1-11H,12-13H2.
What are the key properties of 1-benzyl-3-[5-(nitrosomethyl)furan-2-yl]indazole?
1-benzyl-3-[5-(nitrosomethyl)furan-2-yl]indazole has a molecular weight of 317.35 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[5-(nitrosomethyl)furan-2-yl]indazole is sourced from PubChem (CID 91123404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).