N-[(2,4-dichlorophenyl)methyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide

C14H13Cl2F2N3O — CID 1224543

IUPACN-[(2,4-dichlorophenyl)methyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide
SMILESCc1cc(C(F)F)nn1CC(=O)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H13Cl2F2N3O/c1-8-4-12(14(17)18)20-21(8)7-13(22)19-6-9-2-3-10(15)5-11(9)16/h2-5,14H,6-7H2,1H3,(H,19,22)
InChIKeyLRBBSKQFIKKVPL-UHFFFAOYSA-N
MW348.18 g/mol
LogP3.75
Rot. Bonds5

About N-[(2,4-dichlorophenyl)methyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide

N-[(2,4-dichlorophenyl)methyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide (PubChem CID 1224543) has the molecular formula C14H13Cl2F2N3O and a molecular weight of 348.18 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide
PubChem CID1224543
Molecular FormulaC14H13Cl2F2N3O
Molecular Weight348.18 g/mol
Exact Mass347.04
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide
SMILESCc1cc(C(F)F)nn1CC(=O)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H13Cl2F2N3O/c1-8-4-12(14(17)18)20-21(8)7-13(22)19-6-9-2-3-10(15)5-11(9)16/h2-5,14H,6-7H2,1H3,(H,19,22)
InChIKeyLRBBSKQFIKKVPL-UHFFFAOYSA-N
XLogP3.75
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.18
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(4-chlorobenzyl)-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 1231799
2-(3,5-dimethylpyrazolyl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 856236
N-benzyl-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 653962
2-chloro-N-[1-(2,4-dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]acetamide
CID 844575
N-[(2,4-dichlorophenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 9268807
1-[4-(4-Chloro-3-methyl-phenyl)-piperazin-1-yl]-2-(4-chloro-5-methyl-3-trifluoromethyl-pyrazol-1-yl)-ethanone
CID 21070993
N-[(2,4-dichlorophenyl)methyl]-2-(1,4-dimethylpyrazol-5-yl)acetamide
CID 25061573
N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-[2-(dimethylamino)ethyl]-3,5-dimethylpyrazol-4-yl]acetamide
CID 25106658
N-[(2-chloro-4-fluorophenyl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 25106660
2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-N-[(2-chloro-4-fluorophenyl)methyl]acetamide
CID 25106741
(3-chloro-2-methylphenyl)[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]amine
CID 703700
N-(4-chlorophenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 1129678

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide (CID 1224543) is N-[(2,4-dichlorophenyl)methyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide is Cc1cc(C(F)F)nn1CC(=O)NCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide?
The InChIKey is LRBBSKQFIKKVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2F2N3O/c1-8-4-12(14(17)18)20-21(8)7-13(22)19-6-9-2-3-10(15)5-11(9)16/h2-5,14H,6-7H2,1H3,(H,19,22).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide?
N-[(2,4-dichlorophenyl)methyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide has a molecular weight of 348.18 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide is sourced from PubChem (CID 1224543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).