5-[(2-chlorophenoxy)methyl]-N-[1-(cyanomethyl)pyrazol-3-yl]furan-2-carboxamide

C17H13ClN4O3 — CID 95754701

IUPAC5-[(2-chlorophenoxy)methyl]-N-[1-(cyanomethyl)pyrazol-3-yl]furan-2-carboxamide
SMILESN#CCn1ccc(NC(=O)c2ccc(COc3ccccc3Cl)o2)n1
InChIInChI=1S/C17H13ClN4O3/c18-13-3-1-2-4-14(13)24-11-12-5-6-15(25-12)17(23)20-16-7-9-22(21-16)10-8-19/h1-7,9H,10-11H2,(H,20,21,23)
InChIKeyZUQOQCZRMUTDKG-UHFFFAOYSA-N
MW356.77 g/mol
LogP3.48
Rot. Bonds6

About 5-[(2-chlorophenoxy)methyl]-N-[1-(cyanomethyl)pyrazol-3-yl]furan-2-carboxamide

5-[(2-chlorophenoxy)methyl]-N-[1-(cyanomethyl)pyrazol-3-yl]furan-2-carboxamide (PubChem CID 95754701) has the molecular formula C17H13ClN4O3 and a molecular weight of 356.77 g/mol. Its IUPAC name is 5-[(2-chlorophenoxy)methyl]-N-[1-(cyanomethyl)pyrazol-3-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2-chlorophenoxy)methyl]-N-[1-(cyanomethyl)pyrazol-3-yl]furan-2-carboxamide
PubChem CID95754701
Molecular FormulaC17H13ClN4O3
Molecular Weight356.77 g/mol
Exact Mass356.07
IUPAC Name5-[(2-chlorophenoxy)methyl]-N-[1-(cyanomethyl)pyrazol-3-yl]furan-2-carboxamide
SMILESN#CCn1ccc(NC(=O)c2ccc(COc3ccccc3Cl)o2)n1
InChIInChI=1S/C17H13ClN4O3/c18-13-3-1-2-4-14(13)24-11-12-5-6-15(25-12)17(23)20-16-7-9-22(21-16)10-8-19/h1-7,9H,10-11H2,(H,20,21,23)
InChIKeyZUQOQCZRMUTDKG-UHFFFAOYSA-N
XLogP3.48
TPSA93.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.77
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[(2-chlorophenoxy)methyl]-N-[1-(cyanomethyl)pyrazol-3-yl]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-[1-(cyanomethyl)pyrazol-3-yl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 95754706
5-[(2-chlorophenoxy)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
CID 19345292
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide
CID 19402900
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide
CID 19283666
5-[(2-chlorophenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]furan-2-carboxamide
CID 19458743
N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide
CID 19285000
5-[(4-bromo-2-chlorophenoxy)methyl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
CID 19399026
N-(1-benzylpyrazol-3-yl)-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide
CID 19286216
N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide
CID 19285025
5-[(2-chlorophenoxy)methyl]-N-(3-hydroxyphenyl)furan-2-carboxamide
CID 19458803
5-[(2-chlorophenoxy)methyl]-N-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]furan-2-carboxamide
CID 19458742
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide
CID 19285453

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenoxy)methyl]-N-[1-(cyanomethyl)pyrazol-3-yl]furan-2-carboxamide?
The IUPAC name of 5-[(2-chlorophenoxy)methyl]-N-[1-(cyanomethyl)pyrazol-3-yl]furan-2-carboxamide (CID 95754701) is 5-[(2-chlorophenoxy)methyl]-N-[1-(cyanomethyl)pyrazol-3-yl]furan-2-carboxamide.
What is the SMILES notation for 5-[(2-chlorophenoxy)methyl]-N-[1-(cyanomethyl)pyrazol-3-yl]furan-2-carboxamide?
The canonical SMILES for 5-[(2-chlorophenoxy)methyl]-N-[1-(cyanomethyl)pyrazol-3-yl]furan-2-carboxamide is N#CCn1ccc(NC(=O)c2ccc(COc3ccccc3Cl)o2)n1.
What is the InChIKey of 5-[(2-chlorophenoxy)methyl]-N-[1-(cyanomethyl)pyrazol-3-yl]furan-2-carboxamide?
The InChIKey is ZUQOQCZRMUTDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4O3/c18-13-3-1-2-4-14(13)24-11-12-5-6-15(25-12)17(23)20-16-7-9-22(21-16)10-8-19/h1-7,9H,10-11H2,(H,20,21,23).
What are the key properties of 5-[(2-chlorophenoxy)methyl]-N-[1-(cyanomethyl)pyrazol-3-yl]furan-2-carboxamide?
5-[(2-chlorophenoxy)methyl]-N-[1-(cyanomethyl)pyrazol-3-yl]furan-2-carboxamide has a molecular weight of 356.77 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenoxy)methyl]-N-[1-(cyanomethyl)pyrazol-3-yl]furan-2-carboxamide is sourced from PubChem (CID 95754701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).