5-[(3-cyclopropylpyrazol-1-yl)methyl]furan-2-carboxylic acid

C12H12N2O3 — CID 64778183

IUPAC5-[(3-cyclopropylpyrazol-1-yl)methyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(Cn2ccc(C3CC3)n2)o1
InChIInChI=1S/C12H12N2O3/c15-12(16)11-4-3-9(17-11)7-14-6-5-10(13-14)8-1-2-8/h3-6,8H,1-2,7H2,(H,15,16)
InChIKeyQHZQBWDAXCZDEX-UHFFFAOYSA-N
MW232.24 g/mol
LogP2.10
Rot. Bonds4

About 5-[(3-cyclopropylpyrazol-1-yl)methyl]furan-2-carboxylic acid

5-[(3-cyclopropylpyrazol-1-yl)methyl]furan-2-carboxylic acid (PubChem CID 64778183) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 5-[(3-cyclopropylpyrazol-1-yl)methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3-cyclopropylpyrazol-1-yl)methyl]furan-2-carboxylic acid
PubChem CID64778183
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name5-[(3-cyclopropylpyrazol-1-yl)methyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(Cn2ccc(C3CC3)n2)o1
InChIInChI=1S/C12H12N2O3/c15-12(16)11-4-3-9(17-11)7-14-6-5-10(13-14)8-1-2-8/h3-6,8H,1-2,7H2,(H,15,16)
InChIKeyQHZQBWDAXCZDEX-UHFFFAOYSA-N
XLogP2.10
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-cyclopropylpyrazol-1-yl)methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(3-cyclopropylpyrazol-1-yl)methyl]furan-2-carboxylic acid (CID 64778183) is 5-[(3-cyclopropylpyrazol-1-yl)methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(3-cyclopropylpyrazol-1-yl)methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(3-cyclopropylpyrazol-1-yl)methyl]furan-2-carboxylic acid is O=C(O)c1ccc(Cn2ccc(C3CC3)n2)o1.
What is the InChIKey of 5-[(3-cyclopropylpyrazol-1-yl)methyl]furan-2-carboxylic acid?
The InChIKey is QHZQBWDAXCZDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c15-12(16)11-4-3-9(17-11)7-14-6-5-10(13-14)8-1-2-8/h3-6,8H,1-2,7H2,(H,15,16).
What are the key properties of 5-[(3-cyclopropylpyrazol-1-yl)methyl]furan-2-carboxylic acid?
5-[(3-cyclopropylpyrazol-1-yl)methyl]furan-2-carboxylic acid has a molecular weight of 232.24 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-cyclopropylpyrazol-1-yl)methyl]furan-2-carboxylic acid is sourced from PubChem (CID 64778183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).