1-[3-(furan-3-yl)-1-methylpyrazol-5-yl]ethane-1,2-diol

C10H12N2O3 — CID 155559328

IUPAC1-[3-(furan-3-yl)-1-methylpyrazol-5-yl]ethane-1,2-diol
SMILESCn1nc(-c2ccoc2)cc1C(O)CO
InChIInChI=1S/C10H12N2O3/c1-12-9(10(14)5-13)4-8(11-12)7-2-3-15-6-7/h2-4,6,10,13-14H,5H2,1H3
InChIKeyVMMHYTHZSANUDB-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.71
Rot. Bonds3

About 1-[3-(furan-3-yl)-1-methylpyrazol-5-yl]ethane-1,2-diol

1-[3-(furan-3-yl)-1-methylpyrazol-5-yl]ethane-1,2-diol (PubChem CID 155559328) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 1-[3-(furan-3-yl)-1-methylpyrazol-5-yl]ethane-1,2-diol.

Molecular Properties

Compound Name1-[3-(furan-3-yl)-1-methylpyrazol-5-yl]ethane-1,2-diol
PubChem CID155559328
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name1-[3-(furan-3-yl)-1-methylpyrazol-5-yl]ethane-1,2-diol
SMILESCn1nc(-c2ccoc2)cc1C(O)CO
InChIInChI=1S/C10H12N2O3/c1-12-9(10(14)5-13)4-8(11-12)7-2-3-15-6-7/h2-4,6,10,13-14H,5H2,1H3
InChIKeyVMMHYTHZSANUDB-UHFFFAOYSA-N
XLogP0.71
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(furan-3-yl)-1-methylpyrazol-5-yl]ethane-1,2-diol?
The IUPAC name of 1-[3-(furan-3-yl)-1-methylpyrazol-5-yl]ethane-1,2-diol (CID 155559328) is 1-[3-(furan-3-yl)-1-methylpyrazol-5-yl]ethane-1,2-diol.
What is the SMILES notation for 1-[3-(furan-3-yl)-1-methylpyrazol-5-yl]ethane-1,2-diol?
The canonical SMILES for 1-[3-(furan-3-yl)-1-methylpyrazol-5-yl]ethane-1,2-diol is Cn1nc(-c2ccoc2)cc1C(O)CO.
What is the InChIKey of 1-[3-(furan-3-yl)-1-methylpyrazol-5-yl]ethane-1,2-diol?
The InChIKey is VMMHYTHZSANUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-12-9(10(14)5-13)4-8(11-12)7-2-3-15-6-7/h2-4,6,10,13-14H,5H2,1H3.
What are the key properties of 1-[3-(furan-3-yl)-1-methylpyrazol-5-yl]ethane-1,2-diol?
1-[3-(furan-3-yl)-1-methylpyrazol-5-yl]ethane-1,2-diol has a molecular weight of 208.22 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(furan-3-yl)-1-methylpyrazol-5-yl]ethane-1,2-diol is sourced from PubChem (CID 155559328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).