N,1-dimethyl-4-[[3-[(2,4,6-trichlorophenoxy)methyl]benzoyl]amino]pyrazole-3-carboxamide

C20H17Cl3N4O3 — CID 19408995

IUPACN,1-dimethyl-4-[[3-[(2,4,6-trichlorophenoxy)methyl]benzoyl]amino]pyrazole-3-carboxamide
SMILESCNC(=O)c1nn(C)cc1NC(=O)c1cccc(COc2c(Cl)cc(Cl)cc2Cl)c1
InChIInChI=1S/C20H17Cl3N4O3/c1-24-20(29)17-16(9-27(2)26-17)25-19(28)12-5-3-4-11(6-12)10-30-18-14(22)7-13(21)8-15(18)23/h3-9H,10H2,1-2H3,(H,24,29)(H,25,28)
InChIKeyGCTKBEIEIZZNCI-UHFFFAOYSA-N
MW467.74 g/mol
LogP4.57
Rot. Bonds6

About N,1-dimethyl-4-[[3-[(2,4,6-trichlorophenoxy)methyl]benzoyl]amino]pyrazole-3-carboxamide

N,1-dimethyl-4-[[3-[(2,4,6-trichlorophenoxy)methyl]benzoyl]amino]pyrazole-3-carboxamide (PubChem CID 19408995) has the molecular formula C20H17Cl3N4O3 and a molecular weight of 467.74 g/mol. Its IUPAC name is N,1-dimethyl-4-[[3-[(2,4,6-trichlorophenoxy)methyl]benzoyl]amino]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-4-[[3-[(2,4,6-trichlorophenoxy)methyl]benzoyl]amino]pyrazole-3-carboxamide
PubChem CID19408995
Molecular FormulaC20H17Cl3N4O3
Molecular Weight467.74 g/mol
Exact Mass466.04
IUPAC NameN,1-dimethyl-4-[[3-[(2,4,6-trichlorophenoxy)methyl]benzoyl]amino]pyrazole-3-carboxamide
SMILESCNC(=O)c1nn(C)cc1NC(=O)c1cccc(COc2c(Cl)cc(Cl)cc2Cl)c1
InChIInChI=1S/C20H17Cl3N4O3/c1-24-20(29)17-16(9-27(2)26-17)25-19(28)12-5-3-4-11(6-12)10-30-18-14(22)7-13(21)8-15(18)23/h3-9H,10H2,1-2H3,(H,24,29)(H,25,28)
InChIKeyGCTKBEIEIZZNCI-UHFFFAOYSA-N
XLogP4.57
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.74
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N,1-dimethyl-4-[[3-[(2,4,6-trichlorophenoxy)methyl]benzoyl]amino]pyrazole-3-carboxamide with MolForge

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Related Compounds

4-[[3-[(4-chloro-2-methylphenoxy)methyl]benzoyl]amino]-N,1-dimethylpyrazole-3-carboxamide
CID 19409020
4-[[3-[(4-bromophenoxy)methyl]benzoyl]amino]-N,1-dimethylpyrazole-3-carboxamide
CID 19408944
4-[[3-[(2,5-dimethylphenoxy)methyl]benzoyl]amino]-N,1-dimethylpyrazole-3-carboxamide
CID 19410615
1-ethyl-N-propyl-4-[[3-[(2,4,6-trichlorophenoxy)methyl]benzoyl]amino]pyrazole-3-carboxamide
CID 19398436
4-[[4-[(4-chlorophenoxy)methyl]benzoyl]amino]-N,1-dimethylpyrazole-3-carboxamide
CID 19410621
4-[[3-[(2,3-dichlorophenoxy)methyl]benzoyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide
CID 19400530
N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-[(2,4,6-trichlorophenoxy)methyl]benzamide
CID 19409698
N-[(1-ethylpyrazol-4-yl)methyl]-3-[(2,4,6-trichlorophenoxy)methyl]benzamide
CID 19290644
4-[(4-ethylbenzoyl)amino]-N,1-dimethylpyrazole-3-carboxamide
CID 19410625
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3-[(2,4,6-trichlorophenoxy)methyl]benzamide
CID 19333202
3-[(2,4,6-trichlorophenoxy)methyl]benzoate
CID 7015973
4-[[3-[(3-bromophenoxy)methyl]benzoyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide
CID 19400443

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-4-[[3-[(2,4,6-trichlorophenoxy)methyl]benzoyl]amino]pyrazole-3-carboxamide?
The IUPAC name of N,1-dimethyl-4-[[3-[(2,4,6-trichlorophenoxy)methyl]benzoyl]amino]pyrazole-3-carboxamide (CID 19408995) is N,1-dimethyl-4-[[3-[(2,4,6-trichlorophenoxy)methyl]benzoyl]amino]pyrazole-3-carboxamide.
What is the SMILES notation for N,1-dimethyl-4-[[3-[(2,4,6-trichlorophenoxy)methyl]benzoyl]amino]pyrazole-3-carboxamide?
The canonical SMILES for N,1-dimethyl-4-[[3-[(2,4,6-trichlorophenoxy)methyl]benzoyl]amino]pyrazole-3-carboxamide is CNC(=O)c1nn(C)cc1NC(=O)c1cccc(COc2c(Cl)cc(Cl)cc2Cl)c1.
What is the InChIKey of N,1-dimethyl-4-[[3-[(2,4,6-trichlorophenoxy)methyl]benzoyl]amino]pyrazole-3-carboxamide?
The InChIKey is GCTKBEIEIZZNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl3N4O3/c1-24-20(29)17-16(9-27(2)26-17)25-19(28)12-5-3-4-11(6-12)10-30-18-14(22)7-13(21)8-15(18)23/h3-9H,10H2,1-2H3,(H,24,29)(H,25,28).
What are the key properties of N,1-dimethyl-4-[[3-[(2,4,6-trichlorophenoxy)methyl]benzoyl]amino]pyrazole-3-carboxamide?
N,1-dimethyl-4-[[3-[(2,4,6-trichlorophenoxy)methyl]benzoyl]amino]pyrazole-3-carboxamide has a molecular weight of 467.74 g/mol, XLogP of 4.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-4-[[3-[(2,4,6-trichlorophenoxy)methyl]benzoyl]amino]pyrazole-3-carboxamide is sourced from PubChem (CID 19408995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).