2-[hydroxy-(2-propylpyrazol-3-yl)methyl]furan-3-carboxylic acid

C12H14N2O4 — CID 107432647

IUPAC2-[hydroxy-(2-propylpyrazol-3-yl)methyl]furan-3-carboxylic acid
SMILESCCCn1nccc1C(O)c1occc1C(=O)O
InChIInChI=1S/C12H14N2O4/c1-2-6-14-9(3-5-13-14)10(15)11-8(12(16)17)4-7-18-11/h3-5,7,10,15H,2,6H2,1H3,(H,16,17)
InChIKeyXUGWHQNMWCDZKU-UHFFFAOYSA-N
MW250.25 g/mol
LogP1.67
Rot. Bonds5

About 2-[hydroxy-(2-propylpyrazol-3-yl)methyl]furan-3-carboxylic acid

2-[hydroxy-(2-propylpyrazol-3-yl)methyl]furan-3-carboxylic acid (PubChem CID 107432647) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 2-[hydroxy-(2-propylpyrazol-3-yl)methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-[hydroxy-(2-propylpyrazol-3-yl)methyl]furan-3-carboxylic acid
PubChem CID107432647
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name2-[hydroxy-(2-propylpyrazol-3-yl)methyl]furan-3-carboxylic acid
SMILESCCCn1nccc1C(O)c1occc1C(=O)O
InChIInChI=1S/C12H14N2O4/c1-2-6-14-9(3-5-13-14)10(15)11-8(12(16)17)4-7-18-11/h3-5,7,10,15H,2,6H2,1H3,(H,16,17)
InChIKeyXUGWHQNMWCDZKU-UHFFFAOYSA-N
XLogP1.67
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2-bromofuran-3-yl)-(2-propylpyrazol-3-yl)methanol
CID 106859237
2-[hydroxy-(3-methylimidazol-4-yl)methyl]furan-3-carboxylic acid
CID 107432373
furan-3-yl-(2-propylpyrazol-3-yl)methanol
CID 63974629
(2-propylpyrazol-3-yl)-pyrimidin-5-ylmethanol
CID 114556923
(4-ethylphenyl)-(2-propylpyrazol-3-yl)methanol
CID 63976106
2-propylpyrazole-3-carboxylic acid
CID 7017775
(2-aminophenyl)-(2-propylpyrazol-3-yl)methanol
CID 64831998
2,2,2-trifluoro-1-(2-propylpyrazol-3-yl)ethanol
CID 63977421
(2,5-dimethylphenyl)-(2-propylpyrazol-3-yl)methanol
CID 63977386
(3-methoxythiophen-2-yl)-(2-propylpyrazol-3-yl)methanol
CID 115798642
(2,3-difluorophenyl)-(2-propylpyrazol-3-yl)methanol
CID 63975691
(4-cyclopropylphenyl)-(2-propylpyrazol-3-yl)methanol
CID 79980656

Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy-(2-propylpyrazol-3-yl)methyl]furan-3-carboxylic acid?
The IUPAC name of 2-[hydroxy-(2-propylpyrazol-3-yl)methyl]furan-3-carboxylic acid (CID 107432647) is 2-[hydroxy-(2-propylpyrazol-3-yl)methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-[hydroxy-(2-propylpyrazol-3-yl)methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-[hydroxy-(2-propylpyrazol-3-yl)methyl]furan-3-carboxylic acid is CCCn1nccc1C(O)c1occc1C(=O)O.
What is the InChIKey of 2-[hydroxy-(2-propylpyrazol-3-yl)methyl]furan-3-carboxylic acid?
The InChIKey is XUGWHQNMWCDZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-2-6-14-9(3-5-13-14)10(15)11-8(12(16)17)4-7-18-11/h3-5,7,10,15H,2,6H2,1H3,(H,16,17).
What are the key properties of 2-[hydroxy-(2-propylpyrazol-3-yl)methyl]furan-3-carboxylic acid?
2-[hydroxy-(2-propylpyrazol-3-yl)methyl]furan-3-carboxylic acid has a molecular weight of 250.25 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy-(2-propylpyrazol-3-yl)methyl]furan-3-carboxylic acid is sourced from PubChem (CID 107432647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).