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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Related Compounds

4-[(3-cyclopropylpyrazol-1-yl)methyl]-2-fluorobenzoic acid
CID 106698875
4-[(3-cyclopropylpyrazol-1-yl)methyl]benzohydrazide
CID 64778361
methyl 4-[(3-cyclopropylpyrazol-1-yl)methyl]benzoate
CID 64778175
5-[[3-(1-ethyl-3-methylpyrazol-4-yl)pyrazol-1-yl]methyl]furan-2-carboxylic acid
CID 19621345
4-[(3-cyclopropylpyrazol-1-yl)methyl]-5-methylthiophene-2-carboxylic acid
CID 80730002
5-(cyclopropylmethyl)furan-2-carboxylic acid
CID 83815892
1-[(5-carboxyfuran-2-yl)methyl]-5-cyclohexyltriazole-4-carboxylic acid
CID 94946416
5-[(6-oxopyridazin-1-yl)methyl]furan-2-carboxylic acid
CID 62851184
5-[(4-aminopyrazol-1-yl)methyl]furan-2-carboxylic acid;hydrochloride
CID 90484260
5-[(3-hydroxypiperidin-1-yl)methyl]furan-2-carboxylic acid
CID 61434674
5-[[(2R)-2-methylpiperidin-1-yl]methyl]furan-2-carboxylic acid
CID 42233591
5-[(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]furan-2-carboxylic acid
CID 62937679

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).