N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-methoxyacetamide

C13H13Cl2N3O2 — CID 47020457

IUPACN-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccnn1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H13Cl2N3O2/c1-20-8-13(19)17-12-4-5-16-18(12)7-9-2-3-10(14)6-11(9)15/h2-6H,7-8H2,1H3,(H,17,19)
InChIKeyITFLKXKTEKUWDN-UHFFFAOYSA-N
MW314.17 g/mol
LogP2.82
Rot. Bonds5

About N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-methoxyacetamide

N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-methoxyacetamide (PubChem CID 47020457) has the molecular formula C13H13Cl2N3O2 and a molecular weight of 314.17 g/mol. Its IUPAC name is N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-methoxyacetamide
PubChem CID47020457
Molecular FormulaC13H13Cl2N3O2
Molecular Weight314.17 g/mol
Exact Mass313.04
IUPAC NameN-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccnn1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H13Cl2N3O2/c1-20-8-13(19)17-12-4-5-16-18(12)7-9-2-3-10(14)6-11(9)15/h2-6H,7-8H2,1H3,(H,17,19)
InChIKeyITFLKXKTEKUWDN-UHFFFAOYSA-N
XLogP2.82
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.17
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-(methylamino)butanamide
CID 119695467
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2,4,5-trimethoxybenzamide
CID 55435526
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-thiophen-3-ylacetamide
CID 18096280
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(1-methylpyrazol-4-yl)propanamide
CID 55870787
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 16568057
2-bromo-N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-methoxybenzamide
CID 46632512
2-chloro-N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4,5-difluorobenzamide
CID 55435501
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]pyrazine-2-carboxamide
CID 16567956
2-(5-bromo-2-oxo-1-pyridinyl)-N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 55640204
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]oxane-4-carboxamide
CID 51248287
2-chloro-N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-6-fluorobenzamide
CID 55435457
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(2-methoxyphenoxy)acetamide
CID 18193327

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-methoxyacetamide?
The IUPAC name of N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-methoxyacetamide (CID 47020457) is N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-methoxyacetamide?
The canonical SMILES for N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-methoxyacetamide is COCC(=O)Nc1ccnn1Cc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-methoxyacetamide?
The InChIKey is ITFLKXKTEKUWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O2/c1-20-8-13(19)17-12-4-5-16-18(12)7-9-2-3-10(14)6-11(9)15/h2-6H,7-8H2,1H3,(H,17,19).
What are the key properties of N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-methoxyacetamide?
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-methoxyacetamide has a molecular weight of 314.17 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-methoxyacetamide is sourced from PubChem (CID 47020457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).