2-[5-(furan-2-yl)-1H-pyrazol-3-yl]naphthalen-1-ol

C17H12N2O2 — CID 719865

IUPAC2-[5-(furan-2-yl)-1H-pyrazol-3-yl]naphthalen-1-ol
SMILESOc1c(-c2cc(-c3ccco3)[nH]n2)ccc2ccccc12
InChIInChI=1S/C17H12N2O2/c20-17-12-5-2-1-4-11(12)7-8-13(17)14-10-15(19-18-14)16-6-3-9-21-16/h1-10,20H,(H,18,19)
InChIKeyAUFKOSNMJAYSCA-UHFFFAOYSA-N
MW276.30 g/mol
LogP4.20
Rot. Bonds2

About 2-[5-(furan-2-yl)-1H-pyrazol-3-yl]naphthalen-1-ol

2-[5-(furan-2-yl)-1H-pyrazol-3-yl]naphthalen-1-ol (PubChem CID 719865) has the molecular formula C17H12N2O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-[5-(furan-2-yl)-1H-pyrazol-3-yl]naphthalen-1-ol.

Molecular Properties

Compound Name2-[5-(furan-2-yl)-1H-pyrazol-3-yl]naphthalen-1-ol
PubChem CID719865
Molecular FormulaC17H12N2O2
Molecular Weight276.30 g/mol
Exact Mass276.09
IUPAC Name2-[5-(furan-2-yl)-1H-pyrazol-3-yl]naphthalen-1-ol
SMILESOc1c(-c2cc(-c3ccco3)[nH]n2)ccc2ccccc12
InChIInChI=1S/C17H12N2O2/c20-17-12-5-2-1-4-11(12)7-8-13(17)14-10-15(19-18-14)16-6-3-9-21-16/h1-10,20H,(H,18,19)
InChIKeyAUFKOSNMJAYSCA-UHFFFAOYSA-N
XLogP4.20
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(furan-2-yl)-1H-pyrazol-3-yl]naphthalen-1-ol?
The IUPAC name of 2-[5-(furan-2-yl)-1H-pyrazol-3-yl]naphthalen-1-ol (CID 719865) is 2-[5-(furan-2-yl)-1H-pyrazol-3-yl]naphthalen-1-ol.
What is the SMILES notation for 2-[5-(furan-2-yl)-1H-pyrazol-3-yl]naphthalen-1-ol?
The canonical SMILES for 2-[5-(furan-2-yl)-1H-pyrazol-3-yl]naphthalen-1-ol is Oc1c(-c2cc(-c3ccco3)[nH]n2)ccc2ccccc12.
What is the InChIKey of 2-[5-(furan-2-yl)-1H-pyrazol-3-yl]naphthalen-1-ol?
The InChIKey is AUFKOSNMJAYSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O2/c20-17-12-5-2-1-4-11(12)7-8-13(17)14-10-15(19-18-14)16-6-3-9-21-16/h1-10,20H,(H,18,19).
What are the key properties of 2-[5-(furan-2-yl)-1H-pyrazol-3-yl]naphthalen-1-ol?
2-[5-(furan-2-yl)-1H-pyrazol-3-yl]naphthalen-1-ol has a molecular weight of 276.30 g/mol, XLogP of 4.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(furan-2-yl)-1H-pyrazol-3-yl]naphthalen-1-ol is sourced from PubChem (CID 719865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).