N-ethoxy-5-(pyrazol-1-ylmethyl)furan-2-carboxamide

C11H13N3O3 — CID 60756494

IUPACN-ethoxy-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
SMILESCCONC(=O)c1ccc(Cn2cccn2)o1
InChIInChI=1S/C11H13N3O3/c1-2-16-13-11(15)10-5-4-9(17-10)8-14-7-3-6-12-14/h3-7H,2,8H2,1H3,(H,13,15)
InChIKeyDDCVHRWJKSQLQB-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.21
Rot. Bonds5

About N-ethoxy-5-(pyrazol-1-ylmethyl)furan-2-carboxamide

N-ethoxy-5-(pyrazol-1-ylmethyl)furan-2-carboxamide (PubChem CID 60756494) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is N-ethoxy-5-(pyrazol-1-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-ethoxy-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
PubChem CID60756494
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC NameN-ethoxy-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
SMILESCCONC(=O)c1ccc(Cn2cccn2)o1
InChIInChI=1S/C11H13N3O3/c1-2-16-13-11(15)10-5-4-9(17-10)8-14-7-3-6-12-14/h3-7H,2,8H2,1H3,(H,13,15)
InChIKeyDDCVHRWJKSQLQB-UHFFFAOYSA-N
XLogP1.21
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-ethoxy-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-butyl-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 19463195
2-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]propanoic acid
CID 43355239
N-[(2-ethylpyrazol-3-yl)methyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 19294529
N-(1,3-dihydroxypropan-2-yl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 65314941
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
[2-[bis(2-methylpropyl)amino]-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate
CID 55646764
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate
CID 55646580
3-hydroxy-2-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]propanoic acid
CID 43357614
N-(1,5-dimethylpyrazol-4-yl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 19399657
N-(4-hydroxypentyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 107300126

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
The IUPAC name of N-ethoxy-5-(pyrazol-1-ylmethyl)furan-2-carboxamide (CID 60756494) is N-ethoxy-5-(pyrazol-1-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-ethoxy-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
The canonical SMILES for N-ethoxy-5-(pyrazol-1-ylmethyl)furan-2-carboxamide is CCONC(=O)c1ccc(Cn2cccn2)o1.
What is the InChIKey of N-ethoxy-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
The InChIKey is DDCVHRWJKSQLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-2-16-13-11(15)10-5-4-9(17-10)8-14-7-3-6-12-14/h3-7H,2,8H2,1H3,(H,13,15).
What are the key properties of N-ethoxy-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
N-ethoxy-5-(pyrazol-1-ylmethyl)furan-2-carboxamide has a molecular weight of 235.24 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-5-(pyrazol-1-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 60756494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).