5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazole-4-carboxylic acid

C11H11N3O4 — CID 19623698

IUPAC5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazole-4-carboxylic acid
SMILESCn1ncc(C(=O)O)c1C(=O)NCc1ccco1
InChIInChI=1S/C11H11N3O4/c1-14-9(8(6-13-14)11(16)17)10(15)12-5-7-3-2-4-18-7/h2-4,6H,5H2,1H3,(H,12,15)(H,16,17)
InChIKeyFQHZVMHDOWIPGK-UHFFFAOYSA-N
MW249.23 g/mol
LogP0.64
Rot. Bonds4

About 5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazole-4-carboxylic acid

5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazole-4-carboxylic acid (PubChem CID 19623698) has the molecular formula C11H11N3O4 and a molecular weight of 249.23 g/mol. Its IUPAC name is 5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazole-4-carboxylic acid
PubChem CID19623698
Molecular FormulaC11H11N3O4
Molecular Weight249.23 g/mol
Exact Mass249.07
IUPAC Name5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazole-4-carboxylic acid
SMILESCn1ncc(C(=O)O)c1C(=O)NCc1ccco1
InChIInChI=1S/C11H11N3O4/c1-14-9(8(6-13-14)11(16)17)10(15)12-5-7-3-2-4-18-7/h2-4,6H,5H2,1H3,(H,12,15)(H,16,17)
InChIKeyFQHZVMHDOWIPGK-UHFFFAOYSA-N
XLogP0.64
TPSA97.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]carbamoyl]-1-methylpyrazole-3-carboxylic acid
CID 19500316
methyl 4-[[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]carbamoyl]benzoate
CID 19398212
1-[2-[[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19502280
1-[1-[[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19506277
4-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide
CID 98222387
2-[4-[[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504711
4-[[2-(4-bromopyrazol-1-yl)acetyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide
CID 19398223
4-(furan-2-ylmethylcarbamoyl)pyridine-3-carboxylic acid
CID 53270691
N-(furan-2-ylmethyl)-4-[(3-methoxyphenyl)methylideneamino]-1-methylpyrazole-5-carboxamide
CID 4862901
N-(furan-2-ylmethyl)-1-methyl-4-[[2-(trifluoromethyl)phenyl]methylideneamino]pyrazole-5-carboxamide
CID 4862771
1-(furan-2-ylmethyl)-3-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]thiourea
CID 19445679
2-[4-(furan-2-ylmethylcarbamoyl)pyrazol-1-yl]acetic acid
CID 19621941

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazole-4-carboxylic acid?
The IUPAC name of 5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazole-4-carboxylic acid (CID 19623698) is 5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazole-4-carboxylic acid is Cn1ncc(C(=O)O)c1C(=O)NCc1ccco1.
What is the InChIKey of 5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazole-4-carboxylic acid?
The InChIKey is FQHZVMHDOWIPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4/c1-14-9(8(6-13-14)11(16)17)10(15)12-5-7-3-2-4-18-7/h2-4,6H,5H2,1H3,(H,12,15)(H,16,17).
What are the key properties of 5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazole-4-carboxylic acid?
5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazole-4-carboxylic acid has a molecular weight of 249.23 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 19623698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).