N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide

C19H18Cl3N3O3 — CID 19456372

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
SMILESCc1c(CN(C)C(=O)c2ccc(COc3c(Cl)cc(Cl)cc3Cl)o2)cnn1C
InChIInChI=1S/C19H18Cl3N3O3/c1-11-12(8-23-25(11)3)9-24(2)19(26)17-5-4-14(28-17)10-27-18-15(21)6-13(20)7-16(18)22/h4-8H,9-10H2,1-3H3
InChIKeyAAWYKVFUVSKBES-UHFFFAOYSA-N
MW442.73 g/mol
LogP5.13
Rot. Bonds6

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide

N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide (PubChem CID 19456372) has the molecular formula C19H18Cl3N3O3 and a molecular weight of 442.73 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
PubChem CID19456372
Molecular FormulaC19H18Cl3N3O3
Molecular Weight442.73 g/mol
Exact Mass441.04
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
SMILESCc1c(CN(C)C(=O)c2ccc(COc3c(Cl)cc(Cl)cc3Cl)o2)cnn1C
InChIInChI=1S/C19H18Cl3N3O3/c1-11-12(8-23-25(11)3)9-24(2)19(26)17-5-4-14(28-17)10-27-18-15(21)6-13(20)7-16(18)22/h4-8H,9-10H2,1-3H3
InChIKeyAAWYKVFUVSKBES-UHFFFAOYSA-N
XLogP5.13
TPSA60.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.73
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-chloro-6-methylphenoxy)methyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylfuran-2-carboxamide
CID 19456427
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N-methyl-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
CID 19460306
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-[(4-bromo-1-methylpyrazol-5-yl)methyl]-N-methyl-5-[(2,3,4,5,6-pentachlorophenoxy)methyl]furan-2-carboxamide
CID 19458540
N-[(2-methylpyrazol-3-yl)methyl]-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
CID 19292559
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methyl-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 19460541
5-[(2-chloro-6-methylphenoxy)methyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]furan-2-carboxamide
CID 19571768
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-5-[(4-chlorophenoxy)methyl]-N-methylfuran-2-carboxamide
CID 19458444
methyl 1-methyl-4-[[5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carbonyl]amino]pyrazole-5-carboxylate
CID 19342140
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methyl-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide
CID 19460542
N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide
CID 19458277

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide (CID 19456372) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide is Cc1c(CN(C)C(=O)c2ccc(COc3c(Cl)cc(Cl)cc3Cl)o2)cnn1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide?
The InChIKey is AAWYKVFUVSKBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl3N3O3/c1-11-12(8-23-25(11)3)9-24(2)19(26)17-5-4-14(28-17)10-27-18-15(21)6-13(20)7-16(18)22/h4-8H,9-10H2,1-3H3.
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide has a molecular weight of 442.73 g/mol, XLogP of 5.13, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19456372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).