3-methyl-5-[(4-methylpyrazol-1-yl)methyl]furan-2-carboxylic acid

C11H12N2O3 — CID 60873481

IUPAC3-methyl-5-[(4-methylpyrazol-1-yl)methyl]furan-2-carboxylic acid
SMILESCc1cnn(Cc2cc(C)c(C(=O)O)o2)c1
InChIInChI=1S/C11H12N2O3/c1-7-4-12-13(5-7)6-9-3-8(2)10(16-9)11(14)15/h3-5H,6H2,1-2H3,(H,14,15)
InChIKeyNQRCWQVIHAMDMU-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.84
Rot. Bonds3

About 3-methyl-5-[(4-methylpyrazol-1-yl)methyl]furan-2-carboxylic acid

3-methyl-5-[(4-methylpyrazol-1-yl)methyl]furan-2-carboxylic acid (PubChem CID 60873481) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 3-methyl-5-[(4-methylpyrazol-1-yl)methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-[(4-methylpyrazol-1-yl)methyl]furan-2-carboxylic acid
PubChem CID60873481
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name3-methyl-5-[(4-methylpyrazol-1-yl)methyl]furan-2-carboxylic acid
SMILESCc1cnn(Cc2cc(C)c(C(=O)O)o2)c1
InChIInChI=1S/C11H12N2O3/c1-7-4-12-13(5-7)6-9-3-8(2)10(16-9)11(14)15/h3-5H,6H2,1-2H3,(H,14,15)
InChIKeyNQRCWQVIHAMDMU-UHFFFAOYSA-N
XLogP1.84
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-5-(pyrazol-1-ylmethyl)furan-2-carboxylic acid
CID 43620929
3-methyl-5-[(4-methyl-6-oxopyridazin-1-yl)methyl]furan-2-carboxylic acid
CID 106548449
5-[[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl]-3-methylfuran-2-carboxylic acid
CID 114393875
5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-3-methylfuran-2-carboxylic acid
CID 61238146
5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
CID 63579229
5-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methyl]-3-methylfuran-2-carboxylic acid
CID 107223516
2-methyl-N-[[3-methyl-5-[(4-methylpyrazol-1-yl)methyl]furan-2-yl]methyl]propan-1-amine
CID 55073324
3-methyl-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxylic acid
CID 43621030
5-[(4-methylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid
CID 170756022
5-[(4-bromopyrazol-1-yl)methyl]-2-methylfuran-3-carboxylic acid
CID 61035409
5-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-3-methylfuran-2-carboxylic acid
CID 104967824
2-[(4-methylpyrazol-1-yl)methyl]furan-3-carboxylic acid
CID 60873102

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(4-methylpyrazol-1-yl)methyl]furan-2-carboxylic acid?
The IUPAC name of 3-methyl-5-[(4-methylpyrazol-1-yl)methyl]furan-2-carboxylic acid (CID 60873481) is 3-methyl-5-[(4-methylpyrazol-1-yl)methyl]furan-2-carboxylic acid.
What is the SMILES notation for 3-methyl-5-[(4-methylpyrazol-1-yl)methyl]furan-2-carboxylic acid?
The canonical SMILES for 3-methyl-5-[(4-methylpyrazol-1-yl)methyl]furan-2-carboxylic acid is Cc1cnn(Cc2cc(C)c(C(=O)O)o2)c1.
What is the InChIKey of 3-methyl-5-[(4-methylpyrazol-1-yl)methyl]furan-2-carboxylic acid?
The InChIKey is NQRCWQVIHAMDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-7-4-12-13(5-7)6-9-3-8(2)10(16-9)11(14)15/h3-5H,6H2,1-2H3,(H,14,15).
What are the key properties of 3-methyl-5-[(4-methylpyrazol-1-yl)methyl]furan-2-carboxylic acid?
3-methyl-5-[(4-methylpyrazol-1-yl)methyl]furan-2-carboxylic acid has a molecular weight of 220.23 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(4-methylpyrazol-1-yl)methyl]furan-2-carboxylic acid is sourced from PubChem (CID 60873481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).