N-[4-(furan-2-yl)butan-2-yl]-2-indazol-1-ylacetamide

C17H19N3O2 — CID 6623155

IUPACN-[4-(furan-2-yl)butan-2-yl]-2-indazol-1-ylacetamide
SMILESCC(CCc1ccco1)NC(=O)Cn1ncc2ccccc21
InChIInChI=1S/C17H19N3O2/c1-13(8-9-15-6-4-10-22-15)19-17(21)12-20-16-7-3-2-5-14(16)11-18-20/h2-7,10-11,13H,8-9,12H2,1H3,(H,19,21)
InChIKeyVIZLXANFNDTXAT-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.77
Rot. Bonds6

About N-[4-(furan-2-yl)butan-2-yl]-2-indazol-1-ylacetamide

N-[4-(furan-2-yl)butan-2-yl]-2-indazol-1-ylacetamide (PubChem CID 6623155) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[4-(furan-2-yl)butan-2-yl]-2-indazol-1-ylacetamide.

Molecular Properties

Compound NameN-[4-(furan-2-yl)butan-2-yl]-2-indazol-1-ylacetamide
PubChem CID6623155
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN-[4-(furan-2-yl)butan-2-yl]-2-indazol-1-ylacetamide
SMILESCC(CCc1ccco1)NC(=O)Cn1ncc2ccccc21
InChIInChI=1S/C17H19N3O2/c1-13(8-9-15-6-4-10-22-15)19-17(21)12-20-16-7-3-2-5-14(16)11-18-20/h2-7,10-11,13H,8-9,12H2,1H3,(H,19,21)
InChIKeyVIZLXANFNDTXAT-UHFFFAOYSA-N
XLogP2.77
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-2-indazol-1-ylacetamide?
The IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-2-indazol-1-ylacetamide (CID 6623155) is N-[4-(furan-2-yl)butan-2-yl]-2-indazol-1-ylacetamide.
What is the SMILES notation for N-[4-(furan-2-yl)butan-2-yl]-2-indazol-1-ylacetamide?
The canonical SMILES for N-[4-(furan-2-yl)butan-2-yl]-2-indazol-1-ylacetamide is CC(CCc1ccco1)NC(=O)Cn1ncc2ccccc21.
What is the InChIKey of N-[4-(furan-2-yl)butan-2-yl]-2-indazol-1-ylacetamide?
The InChIKey is VIZLXANFNDTXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-13(8-9-15-6-4-10-22-15)19-17(21)12-20-16-7-3-2-5-14(16)11-18-20/h2-7,10-11,13H,8-9,12H2,1H3,(H,19,21).
What are the key properties of N-[4-(furan-2-yl)butan-2-yl]-2-indazol-1-ylacetamide?
N-[4-(furan-2-yl)butan-2-yl]-2-indazol-1-ylacetamide has a molecular weight of 297.36 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)butan-2-yl]-2-indazol-1-ylacetamide is sourced from PubChem (CID 6623155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).