[5-[1-[(3-methylphenyl)methyl]indazol-3-yl]furan-2-yl]methanol

C20H18N2O2 — CID 21106993

IUPAC[5-[1-[(3-methylphenyl)methyl]indazol-3-yl]furan-2-yl]methanol
SMILESCc1cccc(Cn2nc(-c3ccc(CO)o3)c3ccccc32)c1
InChIInChI=1S/C20H18N2O2/c1-14-5-4-6-15(11-14)12-22-18-8-3-2-7-17(18)20(21-22)19-10-9-16(13-23)24-19/h2-11,23H,12-13H2,1H3
InChIKeyVGOHOAWAIJDCJX-UHFFFAOYSA-N
MW318.38 g/mol
LogP4.15
Rot. Bonds4

About [5-[1-[(3-methylphenyl)methyl]indazol-3-yl]furan-2-yl]methanol

[5-[1-[(3-methylphenyl)methyl]indazol-3-yl]furan-2-yl]methanol (PubChem CID 21106993) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is [5-[1-[(3-methylphenyl)methyl]indazol-3-yl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[1-[(3-methylphenyl)methyl]indazol-3-yl]furan-2-yl]methanol
PubChem CID21106993
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name[5-[1-[(3-methylphenyl)methyl]indazol-3-yl]furan-2-yl]methanol
SMILESCc1cccc(Cn2nc(-c3ccc(CO)o3)c3ccccc32)c1
InChIInChI=1S/C20H18N2O2/c1-14-5-4-6-15(11-14)12-22-18-8-3-2-7-17(18)20(21-22)19-10-9-16(13-23)24-19/h2-11,23H,12-13H2,1H3
InChIKeyVGOHOAWAIJDCJX-UHFFFAOYSA-N
XLogP4.15
TPSA51.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5'-Hydroxymethyl-2'-furyl)-1-benzylindazole
CID 5712
[3-(1-Benzofuran-2-yl)-1-phenylpyrazol-4-yl]methanol
CID 740225
[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-Benzyl-5-methylfuro[3,2-c]pyrazol-3-yl)furan-2-yl]methanol
CID 11483649
[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

Frequently Asked Questions

What is the IUPAC name of [5-[1-[(3-methylphenyl)methyl]indazol-3-yl]furan-2-yl]methanol?
The IUPAC name of [5-[1-[(3-methylphenyl)methyl]indazol-3-yl]furan-2-yl]methanol (CID 21106993) is [5-[1-[(3-methylphenyl)methyl]indazol-3-yl]furan-2-yl]methanol.
What is the SMILES notation for [5-[1-[(3-methylphenyl)methyl]indazol-3-yl]furan-2-yl]methanol?
The canonical SMILES for [5-[1-[(3-methylphenyl)methyl]indazol-3-yl]furan-2-yl]methanol is Cc1cccc(Cn2nc(-c3ccc(CO)o3)c3ccccc32)c1.
What is the InChIKey of [5-[1-[(3-methylphenyl)methyl]indazol-3-yl]furan-2-yl]methanol?
The InChIKey is VGOHOAWAIJDCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-14-5-4-6-15(11-14)12-22-18-8-3-2-7-17(18)20(21-22)19-10-9-16(13-23)24-19/h2-11,23H,12-13H2,1H3.
What are the key properties of [5-[1-[(3-methylphenyl)methyl]indazol-3-yl]furan-2-yl]methanol?
[5-[1-[(3-methylphenyl)methyl]indazol-3-yl]furan-2-yl]methanol has a molecular weight of 318.38 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[1-[(3-methylphenyl)methyl]indazol-3-yl]furan-2-yl]methanol is sourced from PubChem (CID 21106993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).