N-(3-amino-2-hydroxy-3-oxopropyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide

C12H14N4O4 — CID 106166308

IUPACN-(3-amino-2-hydroxy-3-oxopropyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
SMILESNC(=O)C(O)CNC(=O)c1ccc(Cn2cccn2)o1
InChIInChI=1S/C12H14N4O4/c13-11(18)9(17)6-14-12(19)10-3-2-8(20-10)7-16-5-1-4-15-16/h1-5,9,17H,6-7H2,(H2,13,18)(H,14,19)
InChIKeyUMKFTDGZODOVIZ-UHFFFAOYSA-N
MW278.27 g/mol
LogP-0.90
Rot. Bonds6

About N-(3-amino-2-hydroxy-3-oxopropyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide

N-(3-amino-2-hydroxy-3-oxopropyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide (PubChem CID 106166308) has the molecular formula C12H14N4O4 and a molecular weight of 278.27 g/mol. Its IUPAC name is N-(3-amino-2-hydroxy-3-oxopropyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2-hydroxy-3-oxopropyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
PubChem CID106166308
Molecular FormulaC12H14N4O4
Molecular Weight278.27 g/mol
Exact Mass278.10
IUPAC NameN-(3-amino-2-hydroxy-3-oxopropyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
SMILESNC(=O)C(O)CNC(=O)c1ccc(Cn2cccn2)o1
InChIInChI=1S/C12H14N4O4/c13-11(18)9(17)6-14-12(19)10-3-2-8(20-10)7-16-5-1-4-15-16/h1-5,9,17H,6-7H2,(H2,13,18)(H,14,19)
InChIKeyUMKFTDGZODOVIZ-UHFFFAOYSA-N
XLogP-0.90
TPSA123.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-(3-amino-2-hydroxy-3-oxopropyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide 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-(2-hydroxypentyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 115700989
N-(3-amino-2-hydroxy-3-oxopropyl)-5-ethylfuran-2-carboxamide
CID 106166165
N-(1,3-dihydroxypropan-2-yl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 65314941
N-(2,3-dihydroxy-2-methylpropyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 66170524
N-(4-hydroxypentyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 107300126
N-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 95593404
N-butyl-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 19463195
2-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]propanoic acid
CID 43355239
N-ethoxy-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 60756494
3-hydroxy-2-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]propanoic acid
CID 43357614
N-[(3S)-3-(furan-2-yl)-3-hydroxypropyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 95740980
N-[(2-ethylpyrazol-3-yl)methyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 19294529

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
The IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide (CID 106166308) is N-(3-amino-2-hydroxy-3-oxopropyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-(3-amino-2-hydroxy-3-oxopropyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
The canonical SMILES for N-(3-amino-2-hydroxy-3-oxopropyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide is NC(=O)C(O)CNC(=O)c1ccc(Cn2cccn2)o1.
What is the InChIKey of N-(3-amino-2-hydroxy-3-oxopropyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
The InChIKey is UMKFTDGZODOVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O4/c13-11(18)9(17)6-14-12(19)10-3-2-8(20-10)7-16-5-1-4-15-16/h1-5,9,17H,6-7H2,(H2,13,18)(H,14,19).
What are the key properties of N-(3-amino-2-hydroxy-3-oxopropyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
N-(3-amino-2-hydroxy-3-oxopropyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide has a molecular weight of 278.27 g/mol, XLogP of -0.90, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-hydroxy-3-oxopropyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 106166308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).