2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]acetic acid

C11H13N3O3 — CID 43774244

IUPAC2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]acetic acid
SMILESCc1ccc(-c2[nH]ncc2CNCC(=O)O)o1
InChIInChI=1S/C11H13N3O3/c1-7-2-3-9(17-7)11-8(5-13-14-11)4-12-6-10(15)16/h2-3,5,12H,4,6H2,1H3,(H,13,14)(H,15,16)
InChIKeyWCGCNADFVMXGBJ-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.15
Rot. Bonds5

About 2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]acetic acid

2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]acetic acid (PubChem CID 43774244) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]acetic acid.

Molecular Properties

Compound Name2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]acetic acid
PubChem CID43774244
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]acetic acid
SMILESCc1ccc(-c2[nH]ncc2CNCC(=O)O)o1
InChIInChI=1S/C11H13N3O3/c1-7-2-3-9(17-7)11-8(5-13-14-11)4-12-6-10(15)16/h2-3,5,12H,4,6H2,1H3,(H,13,14)(H,15,16)
InChIKeyWCGCNADFVMXGBJ-UHFFFAOYSA-N
XLogP1.15
TPSA91.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]acetamide
CID 43775405
1-(4-fluorophenyl)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]methanamine
CID 43433346
2-methyl-1-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]butan-2-ol
CID 63680783
[1-[[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]methyl]cyclopentyl]methanol
CID 115358774
1-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]-3-phenylpropan-2-ol
CID 111104767
2,2-dimethoxy-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]ethanamine
CID 60817298
2-[2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]ethoxy]ethanol
CID 43771485
4-[[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol
CID 120962125
2-(hydroxymethyl)-2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propane-1,3-diol
CID 107850384
2-methyl-3-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]benzoic acid
CID 167947679
2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetic acid
CID 43663721
2,2-dimethyl-3-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propanenitrile
CID 104587090

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]acetic acid?
The IUPAC name of 2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]acetic acid (CID 43774244) is 2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]acetic acid.
What is the SMILES notation for 2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]acetic acid?
The canonical SMILES for 2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]acetic acid is Cc1ccc(-c2[nH]ncc2CNCC(=O)O)o1.
What is the InChIKey of 2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]acetic acid?
The InChIKey is WCGCNADFVMXGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-7-2-3-9(17-7)11-8(5-13-14-11)4-12-6-10(15)16/h2-3,5,12H,4,6H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]acetic acid?
2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]acetic acid has a molecular weight of 235.24 g/mol, XLogP of 1.15, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]acetic acid is sourced from PubChem (CID 43774244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).