[5-[1-[(3-phenyl-1H-pyrazol-5-yl)methyl]triazol-4-yl]furan-2-yl]methanol

C17H15N5O2 — CID 70775613

IUPAC[5-[1-[(3-phenyl-1H-pyrazol-5-yl)methyl]triazol-4-yl]furan-2-yl]methanol
SMILESOCc1ccc(-c2cn(Cc3cc(-c4ccccc4)n[nH]3)nn2)o1
InChIInChI=1S/C17H15N5O2/c23-11-14-6-7-17(24-14)16-10-22(21-20-16)9-13-8-15(19-18-13)12-4-2-1-3-5-12/h1-8,10,23H,9,11H2,(H,18,19)
InChIKeyBEHXIDNQPUVGHW-UHFFFAOYSA-N
MW321.34 g/mol
LogP2.47
Rot. Bonds5

About [5-[1-[(3-phenyl-1H-pyrazol-5-yl)methyl]triazol-4-yl]furan-2-yl]methanol

[5-[1-[(3-phenyl-1H-pyrazol-5-yl)methyl]triazol-4-yl]furan-2-yl]methanol (PubChem CID 70775613) has the molecular formula C17H15N5O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is [5-[1-[(3-phenyl-1H-pyrazol-5-yl)methyl]triazol-4-yl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[1-[(3-phenyl-1H-pyrazol-5-yl)methyl]triazol-4-yl]furan-2-yl]methanol
PubChem CID70775613
Molecular FormulaC17H15N5O2
Molecular Weight321.34 g/mol
Exact Mass321.12
IUPAC Name[5-[1-[(3-phenyl-1H-pyrazol-5-yl)methyl]triazol-4-yl]furan-2-yl]methanol
SMILESOCc1ccc(-c2cn(Cc3cc(-c4ccccc4)n[nH]3)nn2)o1
InChIInChI=1S/C17H15N5O2/c23-11-14-6-7-17(24-14)16-10-22(21-20-16)9-13-8-15(19-18-13)12-4-2-1-3-5-12/h1-8,10,23H,9,11H2,(H,18,19)
InChIKeyBEHXIDNQPUVGHW-UHFFFAOYSA-N
XLogP2.47
TPSA92.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-[1-[(3-phenyl-1H-pyrazol-5-yl)methyl]triazol-4-yl]furan-2-yl]methanol?
The IUPAC name of [5-[1-[(3-phenyl-1H-pyrazol-5-yl)methyl]triazol-4-yl]furan-2-yl]methanol (CID 70775613) is [5-[1-[(3-phenyl-1H-pyrazol-5-yl)methyl]triazol-4-yl]furan-2-yl]methanol.
What is the SMILES notation for [5-[1-[(3-phenyl-1H-pyrazol-5-yl)methyl]triazol-4-yl]furan-2-yl]methanol?
The canonical SMILES for [5-[1-[(3-phenyl-1H-pyrazol-5-yl)methyl]triazol-4-yl]furan-2-yl]methanol is OCc1ccc(-c2cn(Cc3cc(-c4ccccc4)n[nH]3)nn2)o1.
What is the InChIKey of [5-[1-[(3-phenyl-1H-pyrazol-5-yl)methyl]triazol-4-yl]furan-2-yl]methanol?
The InChIKey is BEHXIDNQPUVGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2/c23-11-14-6-7-17(24-14)16-10-22(21-20-16)9-13-8-15(19-18-13)12-4-2-1-3-5-12/h1-8,10,23H,9,11H2,(H,18,19).
What are the key properties of [5-[1-[(3-phenyl-1H-pyrazol-5-yl)methyl]triazol-4-yl]furan-2-yl]methanol?
[5-[1-[(3-phenyl-1H-pyrazol-5-yl)methyl]triazol-4-yl]furan-2-yl]methanol has a molecular weight of 321.34 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[1-[(3-phenyl-1H-pyrazol-5-yl)methyl]triazol-4-yl]furan-2-yl]methanol is sourced from PubChem (CID 70775613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).