N-[1-(cyanomethyl)pyrazol-3-yl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide

C17H13FN4O3 — CID 95754706

IUPACN-[1-(cyanomethyl)pyrazol-3-yl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
SMILESN#CCn1ccc(NC(=O)c2ccc(COc3ccc(F)cc3)o2)n1
InChIInChI=1S/C17H13FN4O3/c18-12-1-3-13(4-2-12)24-11-14-5-6-15(25-14)17(23)20-16-7-9-22(21-16)10-8-19/h1-7,9H,10-11H2,(H,20,21,23)
InChIKeySNUKPLWFEJLTQN-UHFFFAOYSA-N
MW340.31 g/mol
LogP2.97
Rot. Bonds6

About N-[1-(cyanomethyl)pyrazol-3-yl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide

N-[1-(cyanomethyl)pyrazol-3-yl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide (PubChem CID 95754706) has the molecular formula C17H13FN4O3 and a molecular weight of 340.31 g/mol. Its IUPAC name is N-[1-(cyanomethyl)pyrazol-3-yl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(cyanomethyl)pyrazol-3-yl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
PubChem CID95754706
Molecular FormulaC17H13FN4O3
Molecular Weight340.31 g/mol
Exact Mass340.10
IUPAC NameN-[1-(cyanomethyl)pyrazol-3-yl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
SMILESN#CCn1ccc(NC(=O)c2ccc(COc3ccc(F)cc3)o2)n1
InChIInChI=1S/C17H13FN4O3/c18-12-1-3-13(4-2-12)24-11-14-5-6-15(25-14)17(23)20-16-7-9-22(21-16)10-8-19/h1-7,9H,10-11H2,(H,20,21,23)
InChIKeySNUKPLWFEJLTQN-UHFFFAOYSA-N
XLogP2.97
TPSA93.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2-chlorophenoxy)methyl]-N-[1-(cyanomethyl)pyrazol-3-yl]furan-2-carboxamide
CID 95754701
5-[(4-fluorophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
CID 4076935
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19402963
5-[(4-chlorophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
CID 19284570
5-[(2,5-dimethylphenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
CID 19285027
N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide
CID 19285000
5-[(4-acetylphenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
CID 19283760
5-[(4-ethylphenoxy)methyl]-N-(1-methylpyrazol-3-yl)furan-2-carboxamide
CID 19405068
5-[(4-chlorophenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
CID 19403152
methyl 4-[[5-[[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]carbamoyl]furan-2-yl]methoxy]benzoate
CID 19286538
5-[(4-bromophenoxy)methyl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
CID 19398938
N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide
CID 19285025

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyanomethyl)pyrazol-3-yl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-[1-(cyanomethyl)pyrazol-3-yl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide (CID 95754706) is N-[1-(cyanomethyl)pyrazol-3-yl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[1-(cyanomethyl)pyrazol-3-yl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-[1-(cyanomethyl)pyrazol-3-yl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide is N#CCn1ccc(NC(=O)c2ccc(COc3ccc(F)cc3)o2)n1.
What is the InChIKey of N-[1-(cyanomethyl)pyrazol-3-yl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide?
The InChIKey is SNUKPLWFEJLTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4O3/c18-12-1-3-13(4-2-12)24-11-14-5-6-15(25-14)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 N-[1-(cyanomethyl)pyrazol-3-yl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide?
N-[1-(cyanomethyl)pyrazol-3-yl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide has a molecular weight of 340.31 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyanomethyl)pyrazol-3-yl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 95754706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).