5-[hydroxy-(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]furan-2-carboxylic acid

C12H14N2O5 — CID 106946225

IUPAC5-[hydroxy-(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]furan-2-carboxylic acid
SMILESCOc1c(C(O)c2ccc(C(=O)O)o2)c(C)nn1C
InChIInChI=1S/C12H14N2O5/c1-6-9(11(18-3)14(2)13-6)10(15)7-4-5-8(19-7)12(16)17/h4-5,10,15H,1-3H3,(H,16,17)
InChIKeyMHTHAJAYOMDTBO-UHFFFAOYSA-N
MW266.25 g/mol
LogP1.11
Rot. Bonds4

About 5-[hydroxy-(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]furan-2-carboxylic acid

5-[hydroxy-(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]furan-2-carboxylic acid (PubChem CID 106946225) has the molecular formula C12H14N2O5 and a molecular weight of 266.25 g/mol. Its IUPAC name is 5-[hydroxy-(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[hydroxy-(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]furan-2-carboxylic acid
PubChem CID106946225
Molecular FormulaC12H14N2O5
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC Name5-[hydroxy-(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]furan-2-carboxylic acid
SMILESCOc1c(C(O)c2ccc(C(=O)O)o2)c(C)nn1C
InChIInChI=1S/C12H14N2O5/c1-6-9(11(18-3)14(2)13-6)10(15)7-4-5-8(19-7)12(16)17/h4-5,10,15H,1-3H3,(H,16,17)
InChIKeyMHTHAJAYOMDTBO-UHFFFAOYSA-N
XLogP1.11
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-[hydroxy-(1,3,5-trimethylpyrazol-4-yl)methyl]furan-2-carboxylate
CID 106947157
5-[(1,3-dimethylpyrazol-4-yl)-hydroxymethyl]furan-2-carboxylic acid
CID 106946362
cyclohepten-1-yl-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanol
CID 106651334
5-[hydroxy-(4-methylthiadiazol-5-yl)methyl]furan-2-carboxylic acid
CID 106947311
3,4-dihydro-2H-pyran-6-yl-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanol
CID 102646637
(4-bromo-1,3-thiazol-5-yl)-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanol
CID 114102815
methyl 2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-2-(propylamino)acetate
CID 113463447
1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-2-methylpentan-1-ol
CID 107892711
5-[[(1S)-2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]carbamoyl]furan-2-carboxylic acid
CID 129467966
5-[(5-chloro-2-methoxyphenyl)-hydroxymethyl]furan-2-carboxylic acid
CID 106947326
5-(2,5-dimethylpyrazol-3-yl)furan-2-carboxylic acid
CID 97034386
(1S)-3-amino-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)propan-1-ol
CID 96859628

Frequently Asked Questions

What is the IUPAC name of 5-[hydroxy-(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[hydroxy-(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]furan-2-carboxylic acid (CID 106946225) is 5-[hydroxy-(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[hydroxy-(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[hydroxy-(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]furan-2-carboxylic acid is COc1c(C(O)c2ccc(C(=O)O)o2)c(C)nn1C.
What is the InChIKey of 5-[hydroxy-(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]furan-2-carboxylic acid?
The InChIKey is MHTHAJAYOMDTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5/c1-6-9(11(18-3)14(2)13-6)10(15)7-4-5-8(19-7)12(16)17/h4-5,10,15H,1-3H3,(H,16,17).
What are the key properties of 5-[hydroxy-(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]furan-2-carboxylic acid?
5-[hydroxy-(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]furan-2-carboxylic acid has a molecular weight of 266.25 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[hydroxy-(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]furan-2-carboxylic acid is sourced from PubChem (CID 106946225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).