2-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]propanoic acid

C12H13N3O4 — CID 43355239

IUPAC2-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]propanoic acid
SMILESCC(NC(=O)c1ccc(Cn2cccn2)o1)C(=O)O
InChIInChI=1S/C12H13N3O4/c1-8(12(17)18)14-11(16)10-4-3-9(19-10)7-15-6-2-5-13-15/h2-6,8H,7H2,1H3,(H,14,16)(H,17,18)
InChIKeyJVRGGHNETJFUSF-UHFFFAOYSA-N
MW263.25 g/mol
LogP0.73
Rot. Bonds5

About 2-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]propanoic acid

2-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]propanoic acid (PubChem CID 43355239) has the molecular formula C12H13N3O4 and a molecular weight of 263.25 g/mol. Its IUPAC name is 2-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]propanoic acid
PubChem CID43355239
Molecular FormulaC12H13N3O4
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name2-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]propanoic acid
SMILESCC(NC(=O)c1ccc(Cn2cccn2)o1)C(=O)O
InChIInChI=1S/C12H13N3O4/c1-8(12(17)18)14-11(16)10-4-3-9(19-10)7-15-6-2-5-13-15/h2-6,8H,7H2,1H3,(H,14,16)(H,17,18)
InChIKeyJVRGGHNETJFUSF-UHFFFAOYSA-N
XLogP0.73
TPSA97.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-hydroxy-2-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]propanoic acid
CID 43357614
N-(1,3-dihydroxypropan-2-yl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 65314941
N-[1-(2-bromophenyl)ethyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 42959133
N-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 95593404
N-ethoxy-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 60756494
N-(4-hydroxypentyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 107300126
N-butyl-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 19463195
N-(3-amino-2-hydroxy-3-oxopropyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 106166308
N-(2-hydroxypentyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 115700989
N-(2,3-dihydroxy-2-methylpropyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 66170524
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 110281615
N-[(2-ethylpyrazol-3-yl)methyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 19294529

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]propanoic acid?
The IUPAC name of 2-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]propanoic acid (CID 43355239) is 2-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]propanoic acid.
What is the SMILES notation for 2-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]propanoic acid?
The canonical SMILES for 2-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]propanoic acid is CC(NC(=O)c1ccc(Cn2cccn2)o1)C(=O)O.
What is the InChIKey of 2-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]propanoic acid?
The InChIKey is JVRGGHNETJFUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4/c1-8(12(17)18)14-11(16)10-4-3-9(19-10)7-15-6-2-5-13-15/h2-6,8H,7H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 2-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]propanoic acid?
2-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]propanoic acid has a molecular weight of 263.25 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]propanoic acid is sourced from PubChem (CID 43355239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).