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

C23H17F4N3O4 — CID 19410195

IUPACN-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide
SMILESCOc1cccc(Cn2cc(NC(=O)c3ccc(COc4c(F)c(F)cc(F)c4F)o3)cn2)c1
InChIInChI=1S/C23H17F4N3O4/c1-32-15-4-2-3-13(7-15)10-30-11-14(9-28-30)29-23(31)19-6-5-16(34-19)12-33-22-20(26)17(24)8-18(25)21(22)27/h2-9,11H,10,12H2,1H3,(H,29,31)
InChIKeyKTLAYVOEVSWUQT-UHFFFAOYSA-N
MW475.40 g/mol
LogP4.92
Rot. Bonds8

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

N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide (PubChem CID 19410195) has the molecular formula C23H17F4N3O4 and a molecular weight of 475.40 g/mol. Its IUPAC name is N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide
PubChem CID19410195
Molecular FormulaC23H17F4N3O4
Molecular Weight475.40 g/mol
Exact Mass475.12
IUPAC NameN-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide
SMILESCOc1cccc(Cn2cc(NC(=O)c3ccc(COc4c(F)c(F)cc(F)c4F)o3)cn2)c1
InChIInChI=1S/C23H17F4N3O4/c1-32-15-4-2-3-13(7-15)10-30-11-14(9-28-30)29-23(31)19-6-5-16(34-19)12-33-22-20(26)17(24)8-18(25)21(22)27/h2-9,11H,10,12H2,1H3,(H,29,31)
InChIKeyKTLAYVOEVSWUQT-UHFFFAOYSA-N
XLogP4.92
TPSA78.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.40
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[(2,4-difluorophenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19453236
N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19410192
5-[(2,5-dimethylphenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19410122
N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide
CID 19408578
N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 19414149
N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19410019
methyl 2-[[4-[[5-[(3-methoxyphenoxy)methyl]furan-2-carbonyl]amino]pyrazol-1-yl]methyl]benzoate
CID 19402207
5-[(3-chlorophenoxy)methyl]-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19336414
4-[(2,6-dimethylphenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]benzamide
CID 19410222
5-[(2-chloro-6-methylphenoxy)methyl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19459413
N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-4-[(2,3,5,6-tetrafluorophenoxy)methyl]benzamide
CID 19338284
N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19338279

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide (CID 19410195) is N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide is COc1cccc(Cn2cc(NC(=O)c3ccc(COc4c(F)c(F)cc(F)c4F)o3)cn2)c1.
What is the InChIKey of N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide?
The InChIKey is KTLAYVOEVSWUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F4N3O4/c1-32-15-4-2-3-13(7-15)10-30-11-14(9-28-30)29-23(31)19-6-5-16(34-19)12-33-22-20(26)17(24)8-18(25)21(22)27/h2-9,11H,10,12H2,1H3,(H,29,31).
What are the key properties of N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide?
N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide has a molecular weight of 475.40 g/mol, XLogP of 4.92, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19410195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).