[5-[1-(cyclohexa-2,4-dien-1-ylmethyl)indazol-3-yl]furan-2-yl]methanol

C19H18N2O2 — CID 142952425

IUPAC[5-[1-(cyclohexa-2,4-dien-1-ylmethyl)indazol-3-yl]furan-2-yl]methanol
SMILESOCc1ccc(-c2nn(CC3C=CC=CC3)c3ccccc23)o1
InChIInChI=1S/C19H18N2O2/c22-13-15-10-11-18(23-15)19-16-8-4-5-9-17(16)21(20-19)12-14-6-2-1-3-7-14/h1-6,8-11,14,22H,7,12-13H2
InChIKeyBSKUDZUUSMSGFD-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.92
Rot. Bonds4

About [5-[1-(cyclohexa-2,4-dien-1-ylmethyl)indazol-3-yl]furan-2-yl]methanol

[5-[1-(cyclohexa-2,4-dien-1-ylmethyl)indazol-3-yl]furan-2-yl]methanol (PubChem CID 142952425) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is [5-[1-(cyclohexa-2,4-dien-1-ylmethyl)indazol-3-yl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[1-(cyclohexa-2,4-dien-1-ylmethyl)indazol-3-yl]furan-2-yl]methanol
PubChem CID142952425
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name[5-[1-(cyclohexa-2,4-dien-1-ylmethyl)indazol-3-yl]furan-2-yl]methanol
SMILESOCc1ccc(-c2nn(CC3C=CC=CC3)c3ccccc23)o1
InChIInChI=1S/C19H18N2O2/c22-13-15-10-11-18(23-15)19-16-8-4-5-9-17(16)21(20-19)12-14-6-2-1-3-7-14/h1-6,8-11,14,22H,7,12-13H2
InChIKeyBSKUDZUUSMSGFD-UHFFFAOYSA-N
XLogP3.92
TPSA51.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(1-ethylindazol-3-yl)furan-2-yl]methanol
CID 11230243
[5-[1-[(2-chlorophenyl)methyl]indazol-3-yl]furan-2-yl]methanol
CID 11163571
[5-(1-phenylindazol-3-yl)furan-2-yl]methanol
CID 10039848
[5-[1-[(2,4-difluorophenyl)methyl]indazol-3-yl]furan-2-yl]methanol
CID 90666918
1-benzyl-3-[5-(nitrosomethyl)furan-2-yl]indazole
CID 91123404
5-(1-benzylindazol-3-yl)furan-2-carboxylic acid
CID 10925187
(5-naphthalen-1-ylfuran-2-yl)methanol
CID 60894914
N-[2-(cyclopropylmethyl)pyrazol-3-yl]-2-[3-(5-methylfuran-2-yl)indazol-1-yl]acetamide
CID 30957679
CID 159581860
CID 159581860
[5-[4-amino-1-[(2-fluorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]furan-2-yl]methanol
CID 23381185
(benzylamino) 5-(1-benzylindazol-3-yl)furan-2-carboxylate
CID 87493475
5-(1-benzylindazol-3-yl)-N-(2-hydroxyphenyl)furan-2-carboxamide
CID 22480360

Frequently Asked Questions

What is the IUPAC name of [5-[1-(cyclohexa-2,4-dien-1-ylmethyl)indazol-3-yl]furan-2-yl]methanol?
The IUPAC name of [5-[1-(cyclohexa-2,4-dien-1-ylmethyl)indazol-3-yl]furan-2-yl]methanol (CID 142952425) is [5-[1-(cyclohexa-2,4-dien-1-ylmethyl)indazol-3-yl]furan-2-yl]methanol.
What is the SMILES notation for [5-[1-(cyclohexa-2,4-dien-1-ylmethyl)indazol-3-yl]furan-2-yl]methanol?
The canonical SMILES for [5-[1-(cyclohexa-2,4-dien-1-ylmethyl)indazol-3-yl]furan-2-yl]methanol is OCc1ccc(-c2nn(CC3C=CC=CC3)c3ccccc23)o1.
What is the InChIKey of [5-[1-(cyclohexa-2,4-dien-1-ylmethyl)indazol-3-yl]furan-2-yl]methanol?
The InChIKey is BSKUDZUUSMSGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c22-13-15-10-11-18(23-15)19-16-8-4-5-9-17(16)21(20-19)12-14-6-2-1-3-7-14/h1-6,8-11,14,22H,7,12-13H2.
What are the key properties of [5-[1-(cyclohexa-2,4-dien-1-ylmethyl)indazol-3-yl]furan-2-yl]methanol?
[5-[1-(cyclohexa-2,4-dien-1-ylmethyl)indazol-3-yl]furan-2-yl]methanol has a molecular weight of 306.37 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[1-(cyclohexa-2,4-dien-1-ylmethyl)indazol-3-yl]furan-2-yl]methanol is sourced from PubChem (CID 142952425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).