5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-3-methylfuran-2-carboxylic acid

C14H18N2O3 — CID 61238146

IUPAC5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-3-methylfuran-2-carboxylic acid
SMILESCCc1c(C)nn(Cc2cc(C)c(C(=O)O)o2)c1C
InChIInChI=1S/C14H18N2O3/c1-5-12-9(3)15-16(10(12)4)7-11-6-8(2)13(19-11)14(17)18/h6H,5,7H2,1-4H3,(H,17,18)
InChIKeyJRUBXLQKVCGXCT-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.71
Rot. Bonds4

About 5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-3-methylfuran-2-carboxylic acid

5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-3-methylfuran-2-carboxylic acid (PubChem CID 61238146) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-3-methylfuran-2-carboxylic acid.

Molecular Properties

Compound Name5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-3-methylfuran-2-carboxylic acid
PubChem CID61238146
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-3-methylfuran-2-carboxylic acid
SMILESCCc1c(C)nn(Cc2cc(C)c(C(=O)O)o2)c1C
InChIInChI=1S/C14H18N2O3/c1-5-12-9(3)15-16(10(12)4)7-11-6-8(2)13(19-11)14(17)18/h6H,5,7H2,1-4H3,(H,17,18)
InChIKeyJRUBXLQKVCGXCT-UHFFFAOYSA-N
XLogP2.71
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-3-methylfuran-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-methylfuran-2-carboxylic acid
CID 43620933
3-methyl-5-(pyrazol-1-ylmethyl)furan-2-carboxylic acid
CID 43620929
N-[[5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]propan-1-amine
CID 62440418
3-methyl-5-[(4-methyl-6-oxopyridazin-1-yl)methyl]furan-2-carboxylic acid
CID 106548449
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3-methylfuran-2-carbohydrazide
CID 63577257
3-methyl-5-[(4-methylpyrazol-1-yl)methyl]furan-2-carboxylic acid
CID 60873481
5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]furan-3-carbohydrazide
CID 63579621
5-[[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl]-3-methylfuran-2-carboxylic acid
CID 114393875
N-[[5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62440795
5-[(5,6-difluorobenzimidazol-1-yl)methyl]-3-methylfuran-2-carboxylic acid
CID 43620983
5-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-3-methylfuran-2-carboxylic acid
CID 104967824
5-[(hydroxyamino)methyl]-3-methylfuran-2-carboxylic acid
CID 103282683

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-3-methylfuran-2-carboxylic acid?
The IUPAC name of 5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-3-methylfuran-2-carboxylic acid (CID 61238146) is 5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-3-methylfuran-2-carboxylic acid.
What is the SMILES notation for 5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-3-methylfuran-2-carboxylic acid?
The canonical SMILES for 5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-3-methylfuran-2-carboxylic acid is CCc1c(C)nn(Cc2cc(C)c(C(=O)O)o2)c1C.
What is the InChIKey of 5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-3-methylfuran-2-carboxylic acid?
The InChIKey is JRUBXLQKVCGXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-5-12-9(3)15-16(10(12)4)7-11-6-8(2)13(19-11)14(17)18/h6H,5,7H2,1-4H3,(H,17,18).
What are the key properties of 5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-3-methylfuran-2-carboxylic acid?
5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-3-methylfuran-2-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-3-methylfuran-2-carboxylic acid is sourced from PubChem (CID 61238146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).