1-benzyl-3-[5-(methoxymethyl)furan-2-yl]indazole

C20H18N2O2 — CID 10267904

IUPAC1-benzyl-3-[5-(methoxymethyl)furan-2-yl]indazole
SMILESCOCc1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1
InChIInChI=1S/C20H18N2O2/c1-23-14-16-11-12-19(24-16)20-17-9-5-6-10-18(17)22(21-20)13-15-7-3-2-4-8-15/h2-12H,13-14H2,1H3
InChIKeyDQMKVEMOQGAQPC-UHFFFAOYSA-N
MW318.38 g/mol
LogP4.49
Rot. Bonds5

About 1-benzyl-3-[5-(methoxymethyl)furan-2-yl]indazole

1-benzyl-3-[5-(methoxymethyl)furan-2-yl]indazole (PubChem CID 10267904) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 1-benzyl-3-[5-(methoxymethyl)furan-2-yl]indazole.

Molecular Properties

Compound Name1-benzyl-3-[5-(methoxymethyl)furan-2-yl]indazole
PubChem CID10267904
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name1-benzyl-3-[5-(methoxymethyl)furan-2-yl]indazole
SMILESCOCc1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1
InChIInChI=1S/C20H18N2O2/c1-23-14-16-11-12-19(24-16)20-17-9-5-6-10-18(17)22(21-20)13-15-7-3-2-4-8-15/h2-12H,13-14H2,1H3
InChIKeyDQMKVEMOQGAQPC-UHFFFAOYSA-N
XLogP4.49
TPSA40.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[5-(methoxymethyl)furan-2-yl]indazole?
The IUPAC name of 1-benzyl-3-[5-(methoxymethyl)furan-2-yl]indazole (CID 10267904) is 1-benzyl-3-[5-(methoxymethyl)furan-2-yl]indazole.
What is the SMILES notation for 1-benzyl-3-[5-(methoxymethyl)furan-2-yl]indazole?
The canonical SMILES for 1-benzyl-3-[5-(methoxymethyl)furan-2-yl]indazole is COCc1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1.
What is the InChIKey of 1-benzyl-3-[5-(methoxymethyl)furan-2-yl]indazole?
The InChIKey is DQMKVEMOQGAQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-23-14-16-11-12-19(24-16)20-17-9-5-6-10-18(17)22(21-20)13-15-7-3-2-4-8-15/h2-12H,13-14H2,1H3.
What are the key properties of 1-benzyl-3-[5-(methoxymethyl)furan-2-yl]indazole?
1-benzyl-3-[5-(methoxymethyl)furan-2-yl]indazole has a molecular weight of 318.38 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[5-(methoxymethyl)furan-2-yl]indazole is sourced from PubChem (CID 10267904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).