2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]acetic acid

C10H10N2O3 — CID 3245759

IUPAC2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]acetic acid
SMILESCc1cc(-c2ccco2)n(CC(=O)O)n1
InChIInChI=1S/C10H10N2O3/c1-7-5-8(9-3-2-4-15-9)12(11-7)6-10(13)14/h2-5H,6H2,1H3,(H,13,14)
InChIKeyUMDZTGHCPRKPMV-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.54
Rot. Bonds3

About 2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]acetic acid

2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]acetic acid (PubChem CID 3245759) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]acetic acid
PubChem CID3245759
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]acetic acid
SMILESCc1cc(-c2ccco2)n(CC(=O)O)n1
InChIInChI=1S/C10H10N2O3/c1-7-5-8(9-3-2-4-15-9)12(11-7)6-10(13)14/h2-5H,6H2,1H3,(H,13,14)
InChIKeyUMDZTGHCPRKPMV-UHFFFAOYSA-N
XLogP1.54
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]acetic acid?
The IUPAC name of 2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]acetic acid (CID 3245759) is 2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]acetic acid is Cc1cc(-c2ccco2)n(CC(=O)O)n1.
What is the InChIKey of 2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]acetic acid?
The InChIKey is UMDZTGHCPRKPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-7-5-8(9-3-2-4-15-9)12(11-7)6-10(13)14/h2-5H,6H2,1H3,(H,13,14).
What are the key properties of 2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]acetic acid?
2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]acetic acid has a molecular weight of 206.20 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]acetic acid is sourced from PubChem (CID 3245759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).