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

C8H8N2O3 — CID 57097606

IUPAC[3-(furan-2-yl)-1H-pyrazol-5-yl]methanediol
SMILESOC(O)c1cc(-c2ccco2)n[nH]1
InChIInChI=1S/C8H8N2O3/c11-8(12)6-4-5(9-10-6)7-2-1-3-13-7/h1-4,8,11-12H,(H,9,10)
InChIKeyYXTGSFMVXNIQIP-UHFFFAOYSA-N
MW180.16 g/mol
LogP0.65
Rot. Bonds2

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

[3-(furan-2-yl)-1H-pyrazol-5-yl]methanediol (PubChem CID 57097606) has the molecular formula C8H8N2O3 and a molecular weight of 180.16 g/mol. Its IUPAC name is [3-(furan-2-yl)-1H-pyrazol-5-yl]methanediol.

Molecular Properties

Compound Name[3-(furan-2-yl)-1H-pyrazol-5-yl]methanediol
PubChem CID57097606
Molecular FormulaC8H8N2O3
Molecular Weight180.16 g/mol
Exact Mass180.05
IUPAC Name[3-(furan-2-yl)-1H-pyrazol-5-yl]methanediol
SMILESOC(O)c1cc(-c2ccco2)n[nH]1
InChIInChI=1S/C8H8N2O3/c11-8(12)6-4-5(9-10-6)7-2-1-3-13-7/h1-4,8,11-12H,(H,9,10)
InChIKeyYXTGSFMVXNIQIP-UHFFFAOYSA-N
XLogP0.65
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-(furan-2-yl)-1H-pyrazol-5-yl]methanediol?
The IUPAC name of [3-(furan-2-yl)-1H-pyrazol-5-yl]methanediol (CID 57097606) is [3-(furan-2-yl)-1H-pyrazol-5-yl]methanediol.
What is the SMILES notation for [3-(furan-2-yl)-1H-pyrazol-5-yl]methanediol?
The canonical SMILES for [3-(furan-2-yl)-1H-pyrazol-5-yl]methanediol is OC(O)c1cc(-c2ccco2)n[nH]1.
What is the InChIKey of [3-(furan-2-yl)-1H-pyrazol-5-yl]methanediol?
The InChIKey is YXTGSFMVXNIQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O3/c11-8(12)6-4-5(9-10-6)7-2-1-3-13-7/h1-4,8,11-12H,(H,9,10).
What are the key properties of [3-(furan-2-yl)-1H-pyrazol-5-yl]methanediol?
[3-(furan-2-yl)-1H-pyrazol-5-yl]methanediol has a molecular weight of 180.16 g/mol, XLogP of 0.65, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(furan-2-yl)-1H-pyrazol-5-yl]methanediol is sourced from PubChem (CID 57097606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).