5-(furan-2-yl)-1-methylpyrazole-3-carboxylic acid

C9H8N2O3 — CID 7537639

IUPAC5-(furan-2-yl)-1-methylpyrazole-3-carboxylic acid
SMILESCn1nc(C(=O)O)cc1-c1ccco1
InChIInChI=1S/C9H8N2O3/c1-11-7(8-3-2-4-14-8)5-6(10-11)9(12)13/h2-5H,1H3,(H,12,13)
InChIKeyXXEWHNSDJMBLBK-UHFFFAOYSA-N
MW192.17 g/mol
LogP1.38
Rot. Bonds2

About 5-(furan-2-yl)-1-methylpyrazole-3-carboxylic acid

5-(furan-2-yl)-1-methylpyrazole-3-carboxylic acid (PubChem CID 7537639) has the molecular formula C9H8N2O3 and a molecular weight of 192.17 g/mol. Its IUPAC name is 5-(furan-2-yl)-1-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(furan-2-yl)-1-methylpyrazole-3-carboxylic acid
PubChem CID7537639
Molecular FormulaC9H8N2O3
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC Name5-(furan-2-yl)-1-methylpyrazole-3-carboxylic acid
SMILESCn1nc(C(=O)O)cc1-c1ccco1
InChIInChI=1S/C9H8N2O3/c1-11-7(8-3-2-4-14-8)5-6(10-11)9(12)13/h2-5H,1H3,(H,12,13)
InChIKeyXXEWHNSDJMBLBK-UHFFFAOYSA-N
XLogP1.38
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-1-methylpyrazole-3-carboxylic acid?
The IUPAC name of 5-(furan-2-yl)-1-methylpyrazole-3-carboxylic acid (CID 7537639) is 5-(furan-2-yl)-1-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 5-(furan-2-yl)-1-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 5-(furan-2-yl)-1-methylpyrazole-3-carboxylic acid is Cn1nc(C(=O)O)cc1-c1ccco1.
What is the InChIKey of 5-(furan-2-yl)-1-methylpyrazole-3-carboxylic acid?
The InChIKey is XXEWHNSDJMBLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3/c1-11-7(8-3-2-4-14-8)5-6(10-11)9(12)13/h2-5H,1H3,(H,12,13).
What are the key properties of 5-(furan-2-yl)-1-methylpyrazole-3-carboxylic acid?
5-(furan-2-yl)-1-methylpyrazole-3-carboxylic acid has a molecular weight of 192.17 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-1-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 7537639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).