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

C11H11N3O4 — CID 102806931

IUPAC5-[(1,3-dimethylpyrazol-4-yl)carbamoyl]furan-2-carboxylic acid
SMILESCc1nn(C)cc1NC(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C11H11N3O4/c1-6-7(5-14(2)13-6)12-10(15)8-3-4-9(18-8)11(16)17/h3-5H,1-2H3,(H,12,15)(H,16,17)
InChIKeyRXOHMGOEJSVHJX-UHFFFAOYSA-N
MW249.23 g/mol
LogP1.27
Rot. Bonds3

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

5-[(1,3-dimethylpyrazol-4-yl)carbamoyl]furan-2-carboxylic acid (PubChem CID 102806931) has the molecular formula C11H11N3O4 and a molecular weight of 249.23 g/mol. Its IUPAC name is 5-[(1,3-dimethylpyrazol-4-yl)carbamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(1,3-dimethylpyrazol-4-yl)carbamoyl]furan-2-carboxylic acid
PubChem CID102806931
Molecular FormulaC11H11N3O4
Molecular Weight249.23 g/mol
Exact Mass249.07
IUPAC Name5-[(1,3-dimethylpyrazol-4-yl)carbamoyl]furan-2-carboxylic acid
SMILESCc1nn(C)cc1NC(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C11H11N3O4/c1-6-7(5-14(2)13-6)12-10(15)8-3-4-9(18-8)11(16)17/h3-5H,1-2H3,(H,12,15)(H,16,17)
InChIKeyRXOHMGOEJSVHJX-UHFFFAOYSA-N
XLogP1.27
TPSA97.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1,3-dimethylpyrazol-4-yl)carbamoyl]-3,6-dimethylbenzoic acid
CID 103429481
4-(aminomethyl)-N-(1,3-dimethylpyrazol-4-yl)benzamide
CID 103796977
2-[5-[(1,3-dimethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19487828
N-(1,3-dimethylpyrazol-4-yl)-2-fluorobenzamide
CID 39854004
methyl 4-[(1,3-dimethylpyrazol-4-yl)carbamoyl]benzoate
CID 19346192
N-(1,3-dimethylpyrazol-4-yl)-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide
CID 19346038
N-(1,3-dimethylpyrazol-4-yl)-2-ethylpyrazole-3-carboxamide
CID 19345990
5-[(1,3-dimethylpyrazol-4-yl)-hydroxymethyl]furan-2-carboxylic acid
CID 106946362
N-(1,3-dimethylpyrazol-4-yl)-3-methylbenzamide
CID 19346010
3-amino-N-(1,3-dimethylpyrazol-4-yl)pyridine-4-carboxamide
CID 102807250
N-(1,3-dimethylpyrazol-4-yl)-5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxamide
CID 19346174
N-(1,3-dimethylpyrazol-4-yl)-3-hydroxy-4-methylbenzamide
CID 113358549

Frequently Asked Questions

What is the IUPAC name of 5-[(1,3-dimethylpyrazol-4-yl)carbamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(1,3-dimethylpyrazol-4-yl)carbamoyl]furan-2-carboxylic acid (CID 102806931) is 5-[(1,3-dimethylpyrazol-4-yl)carbamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(1,3-dimethylpyrazol-4-yl)carbamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(1,3-dimethylpyrazol-4-yl)carbamoyl]furan-2-carboxylic acid is Cc1nn(C)cc1NC(=O)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-[(1,3-dimethylpyrazol-4-yl)carbamoyl]furan-2-carboxylic acid?
The InChIKey is RXOHMGOEJSVHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4/c1-6-7(5-14(2)13-6)12-10(15)8-3-4-9(18-8)11(16)17/h3-5H,1-2H3,(H,12,15)(H,16,17).
What are the key properties of 5-[(1,3-dimethylpyrazol-4-yl)carbamoyl]furan-2-carboxylic acid?
5-[(1,3-dimethylpyrazol-4-yl)carbamoyl]furan-2-carboxylic acid has a molecular weight of 249.23 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,3-dimethylpyrazol-4-yl)carbamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 102806931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).