4-[[4-[(4-chlorophenoxy)methyl]benzoyl]amino]-N,1-dimethylpyrazole-3-carboxamide

C20H19ClN4O3 — CID 19410621

IUPAC4-[[4-[(4-chlorophenoxy)methyl]benzoyl]amino]-N,1-dimethylpyrazole-3-carboxamide
SMILESCNC(=O)c1nn(C)cc1NC(=O)c1ccc(COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H19ClN4O3/c1-22-20(27)18-17(11-25(2)24-18)23-19(26)14-5-3-13(4-6-14)12-28-16-9-7-15(21)8-10-16/h3-11H,12H2,1-2H3,(H,22,27)(H,23,26)
InChIKeyGCCNPQYLUBRQIK-UHFFFAOYSA-N
MW398.85 g/mol
LogP3.26
Rot. Bonds6

About 4-[[4-[(4-chlorophenoxy)methyl]benzoyl]amino]-N,1-dimethylpyrazole-3-carboxamide

4-[[4-[(4-chlorophenoxy)methyl]benzoyl]amino]-N,1-dimethylpyrazole-3-carboxamide (PubChem CID 19410621) has the molecular formula C20H19ClN4O3 and a molecular weight of 398.85 g/mol. Its IUPAC name is 4-[[4-[(4-chlorophenoxy)methyl]benzoyl]amino]-N,1-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[[4-[(4-chlorophenoxy)methyl]benzoyl]amino]-N,1-dimethylpyrazole-3-carboxamide
PubChem CID19410621
Molecular FormulaC20H19ClN4O3
Molecular Weight398.85 g/mol
Exact Mass398.11
IUPAC Name4-[[4-[(4-chlorophenoxy)methyl]benzoyl]amino]-N,1-dimethylpyrazole-3-carboxamide
SMILESCNC(=O)c1nn(C)cc1NC(=O)c1ccc(COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H19ClN4O3/c1-22-20(27)18-17(11-25(2)24-18)23-19(26)14-5-3-13(4-6-14)12-28-16-9-7-15(21)8-10-16/h3-11H,12H2,1-2H3,(H,22,27)(H,23,26)
InChIKeyGCCNPQYLUBRQIK-UHFFFAOYSA-N
XLogP3.26
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.85
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-(4-chlorophenoxy)acetyl]amino]-N,1-dimethylpyrazole-3-carboxamide
CID 19408899
4-[(4-ethylbenzoyl)amino]-N,1-dimethylpyrazole-3-carboxamide
CID 19410625
4-[[3-[(4-bromophenoxy)methyl]benzoyl]amino]-N,1-dimethylpyrazole-3-carboxamide
CID 19408944
N,1-dimethyl-4-[[3-[(2,4,6-trichlorophenoxy)methyl]benzoyl]amino]pyrazole-3-carboxamide
CID 19408995
4-[[3-[(4-chloro-2-methylphenoxy)methyl]benzoyl]amino]-N,1-dimethylpyrazole-3-carboxamide
CID 19409020
4-[[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide
CID 19408918
4-[[4-[(3-chlorophenoxy)methyl]benzoyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide
CID 19400521
4-[[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide
CID 19400516
4-[[4-[(2-bromophenoxy)methyl]benzoyl]amino]-1-methylpyrazole-3-carboxamide
CID 4766875
4-[[5-[(4-butan-2-ylphenoxy)methyl]furan-2-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide
CID 19450675
N,1-dimethyl-4-[[4-[(4-nitropyrazol-1-yl)methyl]benzoyl]amino]pyrazole-3-carboxamide
CID 19408910
N-(5-chloro-2-methylphenyl)-4-[(4-methylphenoxy)methyl]benzamide
CID 4008136

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(4-chlorophenoxy)methyl]benzoyl]amino]-N,1-dimethylpyrazole-3-carboxamide?
The IUPAC name of 4-[[4-[(4-chlorophenoxy)methyl]benzoyl]amino]-N,1-dimethylpyrazole-3-carboxamide (CID 19410621) is 4-[[4-[(4-chlorophenoxy)methyl]benzoyl]amino]-N,1-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-[[4-[(4-chlorophenoxy)methyl]benzoyl]amino]-N,1-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 4-[[4-[(4-chlorophenoxy)methyl]benzoyl]amino]-N,1-dimethylpyrazole-3-carboxamide is CNC(=O)c1nn(C)cc1NC(=O)c1ccc(COc2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[[4-[(4-chlorophenoxy)methyl]benzoyl]amino]-N,1-dimethylpyrazole-3-carboxamide?
The InChIKey is GCCNPQYLUBRQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O3/c1-22-20(27)18-17(11-25(2)24-18)23-19(26)14-5-3-13(4-6-14)12-28-16-9-7-15(21)8-10-16/h3-11H,12H2,1-2H3,(H,22,27)(H,23,26).
What are the key properties of 4-[[4-[(4-chlorophenoxy)methyl]benzoyl]amino]-N,1-dimethylpyrazole-3-carboxamide?
4-[[4-[(4-chlorophenoxy)methyl]benzoyl]amino]-N,1-dimethylpyrazole-3-carboxamide has a molecular weight of 398.85 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(4-chlorophenoxy)methyl]benzoyl]amino]-N,1-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 19410621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).