5-(4-carbamoylpyrazol-1-yl)furan-2-carboxylic acid

C9H7N3O4 — CID 64782902

IUPAC5-(4-carbamoylpyrazol-1-yl)furan-2-carboxylic acid
SMILESNC(=O)c1cnn(-c2ccc(C(=O)O)o2)c1
InChIInChI=1S/C9H7N3O4/c10-8(13)5-3-11-12(4-5)7-2-1-6(16-7)9(14)15/h1-4H,(H2,10,13)(H,14,15)
InChIKeyVAOAMYXVFYIHDM-UHFFFAOYSA-N
MW221.17 g/mol
LogP0.26
Rot. Bonds3

About 5-(4-carbamoylpyrazol-1-yl)furan-2-carboxylic acid

5-(4-carbamoylpyrazol-1-yl)furan-2-carboxylic acid (PubChem CID 64782902) has the molecular formula C9H7N3O4 and a molecular weight of 221.17 g/mol. Its IUPAC name is 5-(4-carbamoylpyrazol-1-yl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-carbamoylpyrazol-1-yl)furan-2-carboxylic acid
PubChem CID64782902
Molecular FormulaC9H7N3O4
Molecular Weight221.17 g/mol
Exact Mass221.04
IUPAC Name5-(4-carbamoylpyrazol-1-yl)furan-2-carboxylic acid
SMILESNC(=O)c1cnn(-c2ccc(C(=O)O)o2)c1
InChIInChI=1S/C9H7N3O4/c10-8(13)5-3-11-12(4-5)7-2-1-6(16-7)9(14)15/h1-4H,(H2,10,13)(H,14,15)
InChIKeyVAOAMYXVFYIHDM-UHFFFAOYSA-N
XLogP0.26
TPSA111.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.17
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-carbamoylpyrazol-1-yl)methyl]-1-benzofuran-2-carboxylic acid
CID 65295105
5-(4-pyridin-3-yltriazol-1-yl)furan-2-carbonyl chloride;5-(4-pyridin-3-yltriazol-1-yl)furan-2-carboxamide;5-(4-pyridin-3-yltriazol-1-yl)furan-2-carboxylic acid
CID 157168635
2-(4-carbamoylpyrazol-1-yl)pyridine-3-carboxylic acid
CID 64782904
3-amino-2-(4-carbamoylpyrazol-1-yl)benzoic acid
CID 112579525
5-amino-6-(4-carbamoylpyrazol-1-yl)pyridine-2-carboxylic acid
CID 114408305
2-(4-carbamoylpyrazol-1-yl)-3-fluorobenzoic acid
CID 64783087
1-(5,6-diamino-2-pyridinyl)pyrazole-4-carboxamide
CID 79827053
2-(4-carbamoylpyrazol-1-yl)quinoline-3-carboxylic acid
CID 64781219
4-(4-carbamoylpyrazol-1-yl)quinoline-2-carboxylic acid
CID 64781969
3-(4-carbamoylpyrazol-1-yl)-2-nitrobenzoic acid
CID 115540953
2-(4-carbamoylpyrazol-1-yl)quinoline-5-carboxylic acid
CID 64781781
1-(2-chloro-4-pyridinyl)pyrazole-4-carboxamide
CID 64781605

Frequently Asked Questions

What is the IUPAC name of 5-(4-carbamoylpyrazol-1-yl)furan-2-carboxylic acid?
The IUPAC name of 5-(4-carbamoylpyrazol-1-yl)furan-2-carboxylic acid (CID 64782902) is 5-(4-carbamoylpyrazol-1-yl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(4-carbamoylpyrazol-1-yl)furan-2-carboxylic acid?
The canonical SMILES for 5-(4-carbamoylpyrazol-1-yl)furan-2-carboxylic acid is NC(=O)c1cnn(-c2ccc(C(=O)O)o2)c1.
What is the InChIKey of 5-(4-carbamoylpyrazol-1-yl)furan-2-carboxylic acid?
The InChIKey is VAOAMYXVFYIHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O4/c10-8(13)5-3-11-12(4-5)7-2-1-6(16-7)9(14)15/h1-4H,(H2,10,13)(H,14,15).
What are the key properties of 5-(4-carbamoylpyrazol-1-yl)furan-2-carboxylic acid?
5-(4-carbamoylpyrazol-1-yl)furan-2-carboxylic acid has a molecular weight of 221.17 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-carbamoylpyrazol-1-yl)furan-2-carboxylic acid is sourced from PubChem (CID 64782902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).