[5-(1-benzylindazol-3-yl)furan-2-yl]methyl acetate

C21H18N2O3 — CID 15840367

IUPAC[5-(1-benzylindazol-3-yl)furan-2-yl]methyl acetate
SMILESCC(=O)OCc1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1
InChIInChI=1S/C21H18N2O3/c1-15(24)25-14-17-11-12-20(26-17)21-18-9-5-6-10-19(18)23(22-21)13-16-7-3-2-4-8-16/h2-12H,13-14H2,1H3
InChIKeyDEMUCGPGQHZRLK-UHFFFAOYSA-N
MW346.39 g/mol
LogP4.41
Rot. Bonds5

About [5-(1-benzylindazol-3-yl)furan-2-yl]methyl acetate

[5-(1-benzylindazol-3-yl)furan-2-yl]methyl acetate (PubChem CID 15840367) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is [5-(1-benzylindazol-3-yl)furan-2-yl]methyl acetate.

Molecular Properties

Compound Name[5-(1-benzylindazol-3-yl)furan-2-yl]methyl acetate
PubChem CID15840367
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC Name[5-(1-benzylindazol-3-yl)furan-2-yl]methyl acetate
SMILESCC(=O)OCc1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1
InChIInChI=1S/C21H18N2O3/c1-15(24)25-14-17-11-12-20(26-17)21-18-9-5-6-10-19(18)23(22-21)13-16-7-3-2-4-8-16/h2-12H,13-14H2,1H3
InChIKeyDEMUCGPGQHZRLK-UHFFFAOYSA-N
XLogP4.41
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5'-Hydroxymethyl-2'-furyl)-1-benzylindazole
CID 5712
[5-[1-[(2-Fluorophenyl)methyl]indazol-3-yl]furan-2-yl]methanol
CID 9949053
1-Benzyl-3-(5-methoxycarbonyl-2-furyl)indazole
CID 9967388
2-Furanmethanol, 5-[1-[(4-fluorophenyl)methyl]-1H-indazol-3-yl]-
CID 11472726
[5-[1-(Pyridin-3-ylmethyl)indazol-3-yl]furan-2-yl]methanol
CID 15840332
[5-[1-(Pyridin-2-ylmethyl)indazol-3-yl]furan-2-yl]methanol
CID 15840335
5-[1-[(3-Fluorophenyl)methyl]-1H-indazol-3-yl]-2-furanmethanol
CID 21263021
[5-[1-[(2,6-Difluorophenyl)methyl]indazol-3-yl]furan-2-yl]methanol
CID 21334501
1-Benzyl-3-(5-hydroxymethyl-2-furyl)selenolo[3,2-c]pyrazole
CID 46193251
1-Benzyl-3-(5-hydroxymethyl-2-furyl)-5-methylselenolo[3,2-c]pyrazole
CID 46193613
methyl 1-((4-methoxyphenyl)methyl)-1H-indazole-3-carboxylate
CID 17859014
methyl 1-{[3-(1-benzofuran-2-yl)-1-benzyl-1H-pyrazol-4-yl]methyl}piperidine-4-carboxylate
CID 16188798

Frequently Asked Questions

What is the IUPAC name of [5-(1-benzylindazol-3-yl)furan-2-yl]methyl acetate?
The IUPAC name of [5-(1-benzylindazol-3-yl)furan-2-yl]methyl acetate (CID 15840367) is [5-(1-benzylindazol-3-yl)furan-2-yl]methyl acetate.
What is the SMILES notation for [5-(1-benzylindazol-3-yl)furan-2-yl]methyl acetate?
The canonical SMILES for [5-(1-benzylindazol-3-yl)furan-2-yl]methyl acetate is CC(=O)OCc1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1.
What is the InChIKey of [5-(1-benzylindazol-3-yl)furan-2-yl]methyl acetate?
The InChIKey is DEMUCGPGQHZRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3/c1-15(24)25-14-17-11-12-20(26-17)21-18-9-5-6-10-19(18)23(22-21)13-16-7-3-2-4-8-16/h2-12H,13-14H2,1H3.
What are the key properties of [5-(1-benzylindazol-3-yl)furan-2-yl]methyl acetate?
[5-(1-benzylindazol-3-yl)furan-2-yl]methyl acetate has a molecular weight of 346.39 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-benzylindazol-3-yl)furan-2-yl]methyl acetate is sourced from PubChem (CID 15840367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).