2,3-dichloro-N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]benzamide

C21H21Cl2N3O3 — CID 19338545

IUPAC2,3-dichloro-N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]benzamide
SMILESCCOc1ccc(Cn2cc(NC(=O)c3cccc(Cl)c3Cl)cn2)cc1OCC
InChIInChI=1S/C21H21Cl2N3O3/c1-3-28-18-9-8-14(10-19(18)29-4-2)12-26-13-15(11-24-26)25-21(27)16-6-5-7-17(22)20(16)23/h5-11,13H,3-4,12H2,1-2H3,(H,25,27)
InChIKeyOBUVADBDGARENF-UHFFFAOYSA-N
MW434.32 g/mol
LogP5.29
Rot. Bonds8

About 2,3-dichloro-N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]benzamide

2,3-dichloro-N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]benzamide (PubChem CID 19338545) has the molecular formula C21H21Cl2N3O3 and a molecular weight of 434.32 g/mol. Its IUPAC name is 2,3-dichloro-N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]benzamide
PubChem CID19338545
Molecular FormulaC21H21Cl2N3O3
Molecular Weight434.32 g/mol
Exact Mass433.10
IUPAC Name2,3-dichloro-N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]benzamide
SMILESCCOc1ccc(Cn2cc(NC(=O)c3cccc(Cl)c3Cl)cn2)cc1OCC
InChIInChI=1S/C21H21Cl2N3O3/c1-3-28-18-9-8-14(10-19(18)29-4-2)12-26-13-15(11-24-26)25-21(27)16-6-5-7-17(22)20(16)23/h5-11,13H,3-4,12H2,1-2H3,(H,25,27)
InChIKeyOBUVADBDGARENF-UHFFFAOYSA-N
XLogP5.29
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.32
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dichloro-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19336536
N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-2-(3,4-diethoxyphenyl)acetamide
CID 19395522
4-chloro-N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-1,3-dimethylpyrazole-5-carboxamide
CID 19477039
4-chloro-N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-3-nitrobenzamide
CID 19338598
2,3-dichloro-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide
CID 19411065
3-(4-chloro-3-methylpyrazol-1-yl)-N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]propanamide
CID 19544108
3,4-diethoxy-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19336383
5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19448496
N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-2-(1,5-dimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512497
5-bromo-N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-2-(difluoromethoxy)benzamide
CID 19338473
2-(4-chloropyrazol-1-yl)-N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-2-methylpropanamide
CID 19338558
2-ethoxy-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide
CID 19340226

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]benzamide?
The IUPAC name of 2,3-dichloro-N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]benzamide (CID 19338545) is 2,3-dichloro-N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]benzamide.
What is the SMILES notation for 2,3-dichloro-N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]benzamide?
The canonical SMILES for 2,3-dichloro-N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]benzamide is CCOc1ccc(Cn2cc(NC(=O)c3cccc(Cl)c3Cl)cn2)cc1OCC.
What is the InChIKey of 2,3-dichloro-N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]benzamide?
The InChIKey is OBUVADBDGARENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2N3O3/c1-3-28-18-9-8-14(10-19(18)29-4-2)12-26-13-15(11-24-26)25-21(27)16-6-5-7-17(22)20(16)23/h5-11,13H,3-4,12H2,1-2H3,(H,25,27).
What are the key properties of 2,3-dichloro-N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]benzamide?
2,3-dichloro-N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]benzamide has a molecular weight of 434.32 g/mol, XLogP of 5.29, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 19338545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).