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

C19H17N3O2 — CID 21106986

IUPAC[5-[1-[(2-aminophenyl)methyl]indazol-3-yl]furan-2-yl]methanol
SMILESNc1ccccc1Cn1nc(-c2ccc(CO)o2)c2ccccc21
InChIInChI=1S/C19H17N3O2/c20-16-7-3-1-5-13(16)11-22-17-8-4-2-6-15(17)19(21-22)18-10-9-14(12-23)24-18/h1-10,23H,11-12,20H2
InChIKeyRTMDFCGBRZSOQH-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.42
Rot. Bonds4

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

[5-[1-[(2-aminophenyl)methyl]indazol-3-yl]furan-2-yl]methanol (PubChem CID 21106986) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is [5-[1-[(2-aminophenyl)methyl]indazol-3-yl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[1-[(2-aminophenyl)methyl]indazol-3-yl]furan-2-yl]methanol
PubChem CID21106986
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name[5-[1-[(2-aminophenyl)methyl]indazol-3-yl]furan-2-yl]methanol
SMILESNc1ccccc1Cn1nc(-c2ccc(CO)o2)c2ccccc21
InChIInChI=1S/C19H17N3O2/c20-16-7-3-1-5-13(16)11-22-17-8-4-2-6-15(17)19(21-22)18-10-9-14(12-23)24-18/h1-10,23H,11-12,20H2
InChIKeyRTMDFCGBRZSOQH-UHFFFAOYSA-N
XLogP3.42
TPSA77.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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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-(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
[5-(1-Benzylindazol-3-yl)furan-2-yl]methyl 2-methylpropanoate
CID 56927665

Frequently Asked Questions

What is the IUPAC name of [5-[1-[(2-aminophenyl)methyl]indazol-3-yl]furan-2-yl]methanol?
The IUPAC name of [5-[1-[(2-aminophenyl)methyl]indazol-3-yl]furan-2-yl]methanol (CID 21106986) is [5-[1-[(2-aminophenyl)methyl]indazol-3-yl]furan-2-yl]methanol.
What is the SMILES notation for [5-[1-[(2-aminophenyl)methyl]indazol-3-yl]furan-2-yl]methanol?
The canonical SMILES for [5-[1-[(2-aminophenyl)methyl]indazol-3-yl]furan-2-yl]methanol is Nc1ccccc1Cn1nc(-c2ccc(CO)o2)c2ccccc21.
What is the InChIKey of [5-[1-[(2-aminophenyl)methyl]indazol-3-yl]furan-2-yl]methanol?
The InChIKey is RTMDFCGBRZSOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c20-16-7-3-1-5-13(16)11-22-17-8-4-2-6-15(17)19(21-22)18-10-9-14(12-23)24-18/h1-10,23H,11-12,20H2.
What are the key properties of [5-[1-[(2-aminophenyl)methyl]indazol-3-yl]furan-2-yl]methanol?
[5-[1-[(2-aminophenyl)methyl]indazol-3-yl]furan-2-yl]methanol has a molecular weight of 319.36 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[1-[(2-aminophenyl)methyl]indazol-3-yl]furan-2-yl]methanol is sourced from PubChem (CID 21106986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).