N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide

C15H8F5N3O2 — CID 4770357

IUPACN-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
SMILESO=C(Nc1ccn(Cc2c(F)c(F)c(F)c(F)c2F)n1)c1ccco1
InChIInChI=1S/C15H8F5N3O2/c16-10-7(11(17)13(19)14(20)12(10)18)6-23-4-3-9(22-23)21-15(24)8-2-1-5-25-8/h1-5H,6H2,(H,21,22,24)
InChIKeyWMDHFTBEVVBTNE-UHFFFAOYSA-N
MW357.24 g/mol
LogP3.47
Rot. Bonds4

About N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide

N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide (PubChem CID 4770357) has the molecular formula C15H8F5N3O2 and a molecular weight of 357.24 g/mol. Its IUPAC name is N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
PubChem CID4770357
Molecular FormulaC15H8F5N3O2
Molecular Weight357.24 g/mol
Exact Mass357.05
IUPAC NameN-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
SMILESO=C(Nc1ccn(Cc2c(F)c(F)c(F)c(F)c2F)n1)c1ccco1
InChIInChI=1S/C15H8F5N3O2/c16-10-7(11(17)13(19)14(20)12(10)18)6-23-4-3-9(22-23)21-15(24)8-2-1-5-25-8/h1-5H,6H2,(H,21,22,24)
InChIKeyWMDHFTBEVVBTNE-UHFFFAOYSA-N
XLogP3.47
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.24
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19286709
3-methoxy-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19286725
2-nitro-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19286696
3-[(4-chlorophenoxy)methyl]-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19286735
3,4-dimethoxy-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19286906
4-ethoxy-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19286726
N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]-2-phenylcyclopropane-1-carboxamide
CID 19286942
N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide
CID 19286751
4-chloro-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19286680
4-phenyl-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19286615
N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-2-methylfuran-3-carboxamide
CID 35274293
3-nitro-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19286417

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide?
The IUPAC name of N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide (CID 4770357) is N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide is O=C(Nc1ccn(Cc2c(F)c(F)c(F)c(F)c2F)n1)c1ccco1.
What is the InChIKey of N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide?
The InChIKey is WMDHFTBEVVBTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F5N3O2/c16-10-7(11(17)13(19)14(20)12(10)18)6-23-4-3-9(22-23)21-15(24)8-2-1-5-25-8/h1-5H,6H2,(H,21,22,24).
What are the key properties of N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide?
N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide has a molecular weight of 357.24 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide is sourced from PubChem (CID 4770357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).