N-[2-(2-pyrazol-1-ylethoxy)ethyl]furan-2-carboxamide

C12H15N3O3 — CID 122246699

IUPACN-[2-(2-pyrazol-1-ylethoxy)ethyl]furan-2-carboxamide
SMILESO=C(NCCOCCn1cccn1)c1ccco1
InChIInChI=1S/C12H15N3O3/c16-12(11-3-1-8-18-11)13-5-9-17-10-7-15-6-2-4-14-15/h1-4,6,8H,5,7,9-10H2,(H,13,16)
InChIKeyYIWMCTUGBOHZAV-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.92
Rot. Bonds7

About N-[2-(2-pyrazol-1-ylethoxy)ethyl]furan-2-carboxamide

N-[2-(2-pyrazol-1-ylethoxy)ethyl]furan-2-carboxamide (PubChem CID 122246699) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is N-[2-(2-pyrazol-1-ylethoxy)ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-pyrazol-1-ylethoxy)ethyl]furan-2-carboxamide
PubChem CID122246699
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC NameN-[2-(2-pyrazol-1-ylethoxy)ethyl]furan-2-carboxamide
SMILESO=C(NCCOCCn1cccn1)c1ccco1
InChIInChI=1S/C12H15N3O3/c16-12(11-3-1-8-18-11)13-5-9-17-10-7-15-6-2-4-14-15/h1-4,6,8H,5,7,9-10H2,(H,13,16)
InChIKeyYIWMCTUGBOHZAV-UHFFFAOYSA-N
XLogP0.92
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-(2-pyrazol-1-ylethoxy)ethyl]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-(2-pyrazol-1-ylethoxy)ethyl]naphthalene-1-carboxamide
CID 122246734
2-methoxy-N-[2-(2-pyrazol-1-ylethoxy)ethyl]benzamide
CID 122246707
3-pyrazol-1-yl-N-[2-(2-pyrazol-1-ylethoxy)ethyl]benzamide
CID 122246749
N-[3-(2-bromoethoxy)propyl]furan-2-carboxamide
CID 106307618
3-(4-fluorophenoxy)-N-[2-(2-pyrazol-1-ylethoxy)ethyl]benzamide
CID 122246724
N-[2-[[N'-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]carbamimidoyl]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111851377
N-(2-propoxyethyl)-3-(pyrazol-1-ylmethyl)benzamide
CID 70772428
N-[10-(furan-2-carbonylamino)decyl]furan-2-carboxamide
CID 3147438
N-[3-(2-ethylimidazol-1-yl)propyl]furan-2-carboxamide
CID 13371088
N-[(2R)-4-methylsulfanyl-1-oxo-1-(3-pyrazol-1-ylpropylamino)butan-2-yl]furan-2-carboxamide
CID 37393255
N-(4-methoxybutyl)furan-2-carboxamide
CID 60769533
N-(2-pyrazol-1-ylethyl)-1,2-oxazole-3-carboxamide
CID 166135903

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-pyrazol-1-ylethoxy)ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-(2-pyrazol-1-ylethoxy)ethyl]furan-2-carboxamide (CID 122246699) is N-[2-(2-pyrazol-1-ylethoxy)ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(2-pyrazol-1-ylethoxy)ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(2-pyrazol-1-ylethoxy)ethyl]furan-2-carboxamide is O=C(NCCOCCn1cccn1)c1ccco1.
What is the InChIKey of N-[2-(2-pyrazol-1-ylethoxy)ethyl]furan-2-carboxamide?
The InChIKey is YIWMCTUGBOHZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c16-12(11-3-1-8-18-11)13-5-9-17-10-7-15-6-2-4-14-15/h1-4,6,8H,5,7,9-10H2,(H,13,16).
What are the key properties of N-[2-(2-pyrazol-1-ylethoxy)ethyl]furan-2-carboxamide?
N-[2-(2-pyrazol-1-ylethoxy)ethyl]furan-2-carboxamide has a molecular weight of 249.27 g/mol, XLogP of 0.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-pyrazol-1-ylethoxy)ethyl]furan-2-carboxamide is sourced from PubChem (CID 122246699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).