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

C12H13N3O4 — CID 43356187

IUPAC2-[methyl-[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]acetic acid
SMILESCN(CC(=O)O)C(=O)c1ccc(Cn2cccn2)o1
InChIInChI=1S/C12H13N3O4/c1-14(8-11(16)17)12(18)10-4-3-9(19-10)7-15-6-2-5-13-15/h2-6H,7-8H2,1H3,(H,16,17)
InChIKeyNGZXTBXFKYVXMJ-UHFFFAOYSA-N
MW263.25 g/mol
LogP0.68
Rot. Bonds5

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

2-[methyl-[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]acetic acid (PubChem CID 43356187) has the molecular formula C12H13N3O4 and a molecular weight of 263.25 g/mol. Its IUPAC name is 2-[methyl-[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]acetic acid
PubChem CID43356187
Molecular FormulaC12H13N3O4
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name2-[methyl-[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]acetic acid
SMILESCN(CC(=O)O)C(=O)c1ccc(Cn2cccn2)o1
InChIInChI=1S/C12H13N3O4/c1-14(8-11(16)17)12(18)10-4-3-9(19-10)7-15-6-2-5-13-15/h2-6H,7-8H2,1H3,(H,16,17)
InChIKeyNGZXTBXFKYVXMJ-UHFFFAOYSA-N
XLogP0.68
TPSA88.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[methyl-[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 131937224
N-benzyl-N-(4-methylphenyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 55646940
N-butyl-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 19463195
N-benzyl-N-(4-methoxyphenyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 55757071
2-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]propanoic acid
CID 43355239
morpholin-4-yl-[5-(pyrazol-1-ylmethyl)furan-2-yl]methanone
CID 35762490
N-ethoxy-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 60756494
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 107482794
N-(2-hydroxypentyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 115700989
N-[(2-ethylpyrazol-3-yl)methyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 19294529
N-(2,3-dihydroxy-2-methylpropyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 66170524
N-(1,3-dihydroxypropan-2-yl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 65314941

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]acetic acid (CID 43356187) is 2-[methyl-[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]acetic acid is CN(CC(=O)O)C(=O)c1ccc(Cn2cccn2)o1.
What is the InChIKey of 2-[methyl-[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]acetic acid?
The InChIKey is NGZXTBXFKYVXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4/c1-14(8-11(16)17)12(18)10-4-3-9(19-10)7-15-6-2-5-13-15/h2-6H,7-8H2,1H3,(H,16,17).
What are the key properties of 2-[methyl-[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]acetic acid?
2-[methyl-[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]acetic acid has a molecular weight of 263.25 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]acetic acid is sourced from PubChem (CID 43356187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).