4-[(3-chlorophenoxy)methyl]-N-(1-ethyl-5-methylpyrazol-4-yl)benzamide

C20H20ClN3O2 — CID 19394370

IUPAC4-[(3-chlorophenoxy)methyl]-N-(1-ethyl-5-methylpyrazol-4-yl)benzamide
SMILESCCn1ncc(NC(=O)c2ccc(COc3cccc(Cl)c3)cc2)c1C
InChIInChI=1S/C20H20ClN3O2/c1-3-24-14(2)19(12-22-24)23-20(25)16-9-7-15(8-10-16)13-26-18-6-4-5-17(21)11-18/h4-12H,3,13H2,1-2H3,(H,23,25)
InChIKeyUHLVXQGDZCHDFD-UHFFFAOYSA-N
MW369.85 g/mol
LogP4.70
Rot. Bonds6

About 4-[(3-chlorophenoxy)methyl]-N-(1-ethyl-5-methylpyrazol-4-yl)benzamide

4-[(3-chlorophenoxy)methyl]-N-(1-ethyl-5-methylpyrazol-4-yl)benzamide (PubChem CID 19394370) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is 4-[(3-chlorophenoxy)methyl]-N-(1-ethyl-5-methylpyrazol-4-yl)benzamide.

Molecular Properties

Compound Name4-[(3-chlorophenoxy)methyl]-N-(1-ethyl-5-methylpyrazol-4-yl)benzamide
PubChem CID19394370
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC Name4-[(3-chlorophenoxy)methyl]-N-(1-ethyl-5-methylpyrazol-4-yl)benzamide
SMILESCCn1ncc(NC(=O)c2ccc(COc3cccc(Cl)c3)cc2)c1C
InChIInChI=1S/C20H20ClN3O2/c1-3-24-14(2)19(12-22-24)23-20(25)16-9-7-15(8-10-16)13-26-18-6-4-5-17(21)11-18/h4-12H,3,13H2,1-2H3,(H,23,25)
InChIKeyUHLVXQGDZCHDFD-UHFFFAOYSA-N
XLogP4.70
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-4-[(3-chlorophenoxy)methyl]benzamide
CID 19335847
4-[[4-[(3-chlorophenoxy)methyl]benzoyl]amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide
CID 19341922
4-[(3-chlorophenoxy)methyl]-N-[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzamide
CID 19411936
4-[(2-chloro-4-nitrophenoxy)methyl]-N-(1-ethyl-5-methylpyrazol-4-yl)benzamide
CID 19394358
N-(1-ethyl-5-methylpyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)benzamide
CID 19394355
4-[(3-chlorophenoxy)methyl]benzohydrazide
CID 7022246
4-[(3-chlorophenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzamide
CID 19408421
4-[(3-chlorophenoxy)methyl]-N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide
CID 19339573
4-[(3-chlorophenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 19292411
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-[(3-chlorophenoxy)methyl]benzamide
CID 19296674
4-[(4-chlorophenoxy)methyl]-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]benzamide
CID 19408613
4-[(3-chlorophenoxy)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide
CID 19337296

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorophenoxy)methyl]-N-(1-ethyl-5-methylpyrazol-4-yl)benzamide?
The IUPAC name of 4-[(3-chlorophenoxy)methyl]-N-(1-ethyl-5-methylpyrazol-4-yl)benzamide (CID 19394370) is 4-[(3-chlorophenoxy)methyl]-N-(1-ethyl-5-methylpyrazol-4-yl)benzamide.
What is the SMILES notation for 4-[(3-chlorophenoxy)methyl]-N-(1-ethyl-5-methylpyrazol-4-yl)benzamide?
The canonical SMILES for 4-[(3-chlorophenoxy)methyl]-N-(1-ethyl-5-methylpyrazol-4-yl)benzamide is CCn1ncc(NC(=O)c2ccc(COc3cccc(Cl)c3)cc2)c1C.
What is the InChIKey of 4-[(3-chlorophenoxy)methyl]-N-(1-ethyl-5-methylpyrazol-4-yl)benzamide?
The InChIKey is UHLVXQGDZCHDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c1-3-24-14(2)19(12-22-24)23-20(25)16-9-7-15(8-10-16)13-26-18-6-4-5-17(21)11-18/h4-12H,3,13H2,1-2H3,(H,23,25).
What are the key properties of 4-[(3-chlorophenoxy)methyl]-N-(1-ethyl-5-methylpyrazol-4-yl)benzamide?
4-[(3-chlorophenoxy)methyl]-N-(1-ethyl-5-methylpyrazol-4-yl)benzamide has a molecular weight of 369.85 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chlorophenoxy)methyl]-N-(1-ethyl-5-methylpyrazol-4-yl)benzamide is sourced from PubChem (CID 19394370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).