N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide

C18H14F5N3O3 — CID 19458277

IUPACN-methyl-N-[(2-methylpyrazol-3-yl)methyl]-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide
SMILESCN(Cc1ccnn1C)C(=O)c1ccc(COc2c(F)c(F)c(F)c(F)c2F)o1
InChIInChI=1S/C18H14F5N3O3/c1-25(7-9-5-6-24-26(9)2)18(27)11-4-3-10(29-11)8-28-17-15(22)13(20)12(19)14(21)16(17)23/h3-6H,7-8H2,1-2H3
InChIKeyLKZVRPKCQCVXTM-UHFFFAOYSA-N
MW415.32 g/mol
LogP3.56
Rot. Bonds6

About N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide

N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide (PubChem CID 19458277) has the molecular formula C18H14F5N3O3 and a molecular weight of 415.32 g/mol. Its IUPAC name is N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(2-methylpyrazol-3-yl)methyl]-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide
PubChem CID19458277
Molecular FormulaC18H14F5N3O3
Molecular Weight415.32 g/mol
Exact Mass415.10
IUPAC NameN-methyl-N-[(2-methylpyrazol-3-yl)methyl]-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide
SMILESCN(Cc1ccnn1C)C(=O)c1ccc(COc2c(F)c(F)c(F)c(F)c2F)o1
InChIInChI=1S/C18H14F5N3O3/c1-25(7-9-5-6-24-26(9)2)18(27)11-4-3-10(29-11)8-28-17-15(22)13(20)12(19)14(21)16(17)23/h3-6H,7-8H2,1-2H3
InChIKeyLKZVRPKCQCVXTM-UHFFFAOYSA-N
XLogP3.56
TPSA60.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.32
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methyl-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide
CID 19460635
5-[(2,4-dichlorophenoxy)methyl]-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]furan-2-carboxamide
CID 4867387
N-methyl-5-[(4-methyl-2-nitrophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]furan-2-carboxamide
CID 4865546
5-[(2-chloro-4-fluorophenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylfuran-2-carboxamide
CID 19454345
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-N-methyl-5-[(2,3,4,5,6-pentachlorophenoxy)methyl]furan-2-carboxamide
CID 19458540
N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
CID 19456372
5-[(2-chloro-6-methylphenoxy)methyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylfuran-2-carboxamide
CID 19456427
4-[(4-chlorophenoxy)methyl]-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 19458304
N-[(2-methylpyrazol-3-yl)methyl]-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
CID 19292559
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-5-[(4-chlorophenoxy)methyl]-N-methylfuran-2-carboxamide
CID 19458444
N-benzyl-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide
CID 51147848
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methyl-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 19460541

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide (CID 19458277) is N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide is CN(Cc1ccnn1C)C(=O)c1ccc(COc2c(F)c(F)c(F)c(F)c2F)o1.
What is the InChIKey of N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide?
The InChIKey is LKZVRPKCQCVXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F5N3O3/c1-25(7-9-5-6-24-26(9)2)18(27)11-4-3-10(29-11)8-28-17-15(22)13(20)12(19)14(21)16(17)23/h3-6H,7-8H2,1-2H3.
What are the key properties of N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide?
N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide has a molecular weight of 415.32 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19458277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).