[5-(1-benzyl-5-methylfuro[3,2-c]pyrazol-3-yl)furan-2-yl]methanol

C18H16N2O3 — CID 11483649

IUPAC[5-(1-benzyl-5-methylfuro[3,2-c]pyrazol-3-yl)furan-2-yl]methanol
SMILESCc1cc2c(o1)c(-c1ccc(CO)o1)nn2Cc1ccccc1
InChIInChI=1S/C18H16N2O3/c1-12-9-15-18(22-12)17(16-8-7-14(11-21)23-16)19-20(15)10-13-5-3-2-4-6-13/h2-9,21H,10-11H2,1H3
InChIKeyKSBWACMKGATUBJ-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.74
Rot. Bonds4

About [5-(1-benzyl-5-methylfuro[3,2-c]pyrazol-3-yl)furan-2-yl]methanol

[5-(1-benzyl-5-methylfuro[3,2-c]pyrazol-3-yl)furan-2-yl]methanol (PubChem CID 11483649) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is [5-(1-benzyl-5-methylfuro[3,2-c]pyrazol-3-yl)furan-2-yl]methanol.

Molecular Properties

Compound Name[5-(1-benzyl-5-methylfuro[3,2-c]pyrazol-3-yl)furan-2-yl]methanol
PubChem CID11483649
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name[5-(1-benzyl-5-methylfuro[3,2-c]pyrazol-3-yl)furan-2-yl]methanol
SMILESCc1cc2c(o1)c(-c1ccc(CO)o1)nn2Cc1ccccc1
InChIInChI=1S/C18H16N2O3/c1-12-9-15-18(22-12)17(16-8-7-14(11-21)23-16)19-20(15)10-13-5-3-2-4-6-13/h2-9,21H,10-11H2,1H3
InChIKeyKSBWACMKGATUBJ-UHFFFAOYSA-N
XLogP3.74
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(1-benzyl-5-methylfuro[3,2-c]pyrazol-3-yl)furan-2-yl]methanol?
The IUPAC name of [5-(1-benzyl-5-methylfuro[3,2-c]pyrazol-3-yl)furan-2-yl]methanol (CID 11483649) is [5-(1-benzyl-5-methylfuro[3,2-c]pyrazol-3-yl)furan-2-yl]methanol.
What is the SMILES notation for [5-(1-benzyl-5-methylfuro[3,2-c]pyrazol-3-yl)furan-2-yl]methanol?
The canonical SMILES for [5-(1-benzyl-5-methylfuro[3,2-c]pyrazol-3-yl)furan-2-yl]methanol is Cc1cc2c(o1)c(-c1ccc(CO)o1)nn2Cc1ccccc1.
What is the InChIKey of [5-(1-benzyl-5-methylfuro[3,2-c]pyrazol-3-yl)furan-2-yl]methanol?
The InChIKey is KSBWACMKGATUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-12-9-15-18(22-12)17(16-8-7-14(11-21)23-16)19-20(15)10-13-5-3-2-4-6-13/h2-9,21H,10-11H2,1H3.
What are the key properties of [5-(1-benzyl-5-methylfuro[3,2-c]pyrazol-3-yl)furan-2-yl]methanol?
[5-(1-benzyl-5-methylfuro[3,2-c]pyrazol-3-yl)furan-2-yl]methanol has a molecular weight of 308.34 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-benzyl-5-methylfuro[3,2-c]pyrazol-3-yl)furan-2-yl]methanol is sourced from PubChem (CID 11483649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).