3-[[2-(furan-2-carbonylamino)acetyl]amino]-1H-pyrazole-5-carboxylic acid

C11H10N4O5 — CID 64528451

IUPAC3-[[2-(furan-2-carbonylamino)acetyl]amino]-1H-pyrazole-5-carboxylic acid
SMILESO=C(CNC(=O)c1ccco1)Nc1cc(C(=O)O)[nH]n1
InChIInChI=1S/C11H10N4O5/c16-9(5-12-10(17)7-2-1-3-20-7)13-8-4-6(11(18)19)14-15-8/h1-4H,5H2,(H,12,17)(H,18,19)(H2,13,14,15,16)
InChIKeyBWDZGITWKIVVCP-UHFFFAOYSA-N
MW278.22 g/mol
LogP0.07
Rot. Bonds5

About 3-[[2-(furan-2-carbonylamino)acetyl]amino]-1H-pyrazole-5-carboxylic acid

3-[[2-(furan-2-carbonylamino)acetyl]amino]-1H-pyrazole-5-carboxylic acid (PubChem CID 64528451) has the molecular formula C11H10N4O5 and a molecular weight of 278.22 g/mol. Its IUPAC name is 3-[[2-(furan-2-carbonylamino)acetyl]amino]-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[[2-(furan-2-carbonylamino)acetyl]amino]-1H-pyrazole-5-carboxylic acid
PubChem CID64528451
Molecular FormulaC11H10N4O5
Molecular Weight278.22 g/mol
Exact Mass278.07
IUPAC Name3-[[2-(furan-2-carbonylamino)acetyl]amino]-1H-pyrazole-5-carboxylic acid
SMILESO=C(CNC(=O)c1ccco1)Nc1cc(C(=O)O)[nH]n1
InChIInChI=1S/C11H10N4O5/c16-9(5-12-10(17)7-2-1-3-20-7)13-8-4-6(11(18)19)14-15-8/h1-4H,5H2,(H,12,17)(H,18,19)(H2,13,14,15,16)
InChIKeyBWDZGITWKIVVCP-UHFFFAOYSA-N
XLogP0.07
TPSA137.32 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.22
LogP ≤ 50.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-oxo-2-(1H-pyrazol-5-ylamino)ethyl]furan-2-carboxamide
CID 61393852
2-[[2-(furan-2-carbonylamino)acetyl]amino]thiophene-3-carboxylic acid
CID 43357386
2-[[2-(furan-2-carbonylamino)acetyl]amino]-5-methylthiophene-3-carboxylic acid
CID 63615187
3-[(2-methylfuran-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64528655
N-[3-oxo-3-[(5-propyl-1H-pyrazol-3-yl)amino]propyl]furan-2-carboxamide
CID 115619809
N-[2-(2,6-difluoroanilino)-2-oxoethyl]furan-2-carboxamide
CID 110698062
N-[2-[[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 43035097
N-[2-oxo-2-[(6-piperidin-1-yl-3-pyridinyl)amino]ethyl]furan-2-carboxamide
CID 18144018
N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 7535615
N-[2-(2-fluoroanilino)-2-oxoethyl]furan-2-carboxamide
CID 771844
3-[[2-(2-methylphenyl)acetyl]amino]-1H-pyrazole-5-carboxylic acid
CID 64528831
5-bromo-N-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]furan-2-carboxamide
CID 47038570

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(furan-2-carbonylamino)acetyl]amino]-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-[[2-(furan-2-carbonylamino)acetyl]amino]-1H-pyrazole-5-carboxylic acid (CID 64528451) is 3-[[2-(furan-2-carbonylamino)acetyl]amino]-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-[[2-(furan-2-carbonylamino)acetyl]amino]-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-[[2-(furan-2-carbonylamino)acetyl]amino]-1H-pyrazole-5-carboxylic acid is O=C(CNC(=O)c1ccco1)Nc1cc(C(=O)O)[nH]n1.
What is the InChIKey of 3-[[2-(furan-2-carbonylamino)acetyl]amino]-1H-pyrazole-5-carboxylic acid?
The InChIKey is BWDZGITWKIVVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O5/c16-9(5-12-10(17)7-2-1-3-20-7)13-8-4-6(11(18)19)14-15-8/h1-4H,5H2,(H,12,17)(H,18,19)(H2,13,14,15,16).
What are the key properties of 3-[[2-(furan-2-carbonylamino)acetyl]amino]-1H-pyrazole-5-carboxylic acid?
3-[[2-(furan-2-carbonylamino)acetyl]amino]-1H-pyrazole-5-carboxylic acid has a molecular weight of 278.22 g/mol, XLogP of 0.07, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(furan-2-carbonylamino)acetyl]amino]-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 64528451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).