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

C10H9N3O4 — CID 19406055

IUPAC4-(furan-2-carbonylamino)-1-methylpyrazole-5-carboxylic acid
SMILESCn1ncc(NC(=O)c2ccco2)c1C(=O)O
InChIInChI=1S/C10H9N3O4/c1-13-8(10(15)16)6(5-11-13)12-9(14)7-3-2-4-17-7/h2-5H,1H3,(H,12,14)(H,15,16)
InChIKeyWQXOKAYXRCLXGT-UHFFFAOYSA-N
MW235.20 g/mol
LogP0.96
Rot. Bonds3

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

4-(furan-2-carbonylamino)-1-methylpyrazole-5-carboxylic acid (PubChem CID 19406055) has the molecular formula C10H9N3O4 and a molecular weight of 235.20 g/mol. Its IUPAC name is 4-(furan-2-carbonylamino)-1-methylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(furan-2-carbonylamino)-1-methylpyrazole-5-carboxylic acid
PubChem CID19406055
Molecular FormulaC10H9N3O4
Molecular Weight235.20 g/mol
Exact Mass235.06
IUPAC Name4-(furan-2-carbonylamino)-1-methylpyrazole-5-carboxylic acid
SMILESCn1ncc(NC(=O)c2ccco2)c1C(=O)O
InChIInChI=1S/C10H9N3O4/c1-13-8(10(15)16)6(5-11-13)12-9(14)7-3-2-4-17-7/h2-5H,1H3,(H,12,14)(H,15,16)
InChIKeyWQXOKAYXRCLXGT-UHFFFAOYSA-N
XLogP0.96
TPSA97.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-4-[(4-nitrobenzoyl)amino]pyrazole-5-carboxylic acid
CID 19406253
4-[(2-ethoxybenzoyl)amino]-1-methylpyrazole-5-carboxylic acid
CID 19406266
4-[[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]carbamoyl]-1-methylpyrazole-3-carboxylic acid
CID 19500316
1-methyl-4-[[5-(naphthalen-1-yloxymethyl)furan-2-carbonyl]amino]pyrazole-5-carboxylic acid
CID 19405995
1-methyl-4-(methylcarbamothioylamino)pyrazole-5-carboxylic acid
CID 19343582
4-[(1-ethylpyrazole-3-carbonyl)amino]-1-methylpyrazole-5-carboxylic acid
CID 19405969
1-methyl-4-[(2-phenylcyclopropanecarbonyl)amino]pyrazole-5-carboxylic acid
CID 19406229
2-[4-[[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504711
3-amino-4-(furan-2-carbonylamino)benzoic acid
CID 63117282
N-(2,5-dimethyl-1,2,4-triazol-3-yl)furan-2-carboxamide
CID 86789673
4-[(4-bromo-1H-pyrazole-5-carbonyl)amino]-1-methylpyrazole-5-carboxylic acid
CID 19406043
N-(2-hydroxyphenyl)furan-2-carboxamide
CID 761889

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-carbonylamino)-1-methylpyrazole-5-carboxylic acid?
The IUPAC name of 4-(furan-2-carbonylamino)-1-methylpyrazole-5-carboxylic acid (CID 19406055) is 4-(furan-2-carbonylamino)-1-methylpyrazole-5-carboxylic acid.
What is the SMILES notation for 4-(furan-2-carbonylamino)-1-methylpyrazole-5-carboxylic acid?
The canonical SMILES for 4-(furan-2-carbonylamino)-1-methylpyrazole-5-carboxylic acid is Cn1ncc(NC(=O)c2ccco2)c1C(=O)O.
What is the InChIKey of 4-(furan-2-carbonylamino)-1-methylpyrazole-5-carboxylic acid?
The InChIKey is WQXOKAYXRCLXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O4/c1-13-8(10(15)16)6(5-11-13)12-9(14)7-3-2-4-17-7/h2-5H,1H3,(H,12,14)(H,15,16).
What are the key properties of 4-(furan-2-carbonylamino)-1-methylpyrazole-5-carboxylic acid?
4-(furan-2-carbonylamino)-1-methylpyrazole-5-carboxylic acid has a molecular weight of 235.20 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-carbonylamino)-1-methylpyrazole-5-carboxylic acid is sourced from PubChem (CID 19406055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).