N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide

C17H13Cl3F3N5O — CID 19522010

IUPACN-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCc1cc(C(F)(F)F)n(CC(=O)Nc2nn(Cc3c(Cl)cccc3Cl)cc2Cl)n1
InChIInChI=1S/C17H13Cl3F3N5O/c1-9-5-14(17(21,22)23)28(25-9)8-15(29)24-16-13(20)7-27(26-16)6-10-11(18)3-2-4-12(10)19/h2-5,7H,6,8H2,1H3,(H,24,26,29)
InChIKeyFVLBTBXNPNODHA-UHFFFAOYSA-N
MW466.68 g/mol
LogP5.05
Rot. Bonds5

About N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide

N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 19522010) has the molecular formula C17H13Cl3F3N5O and a molecular weight of 466.68 g/mol. Its IUPAC name is N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID19522010
Molecular FormulaC17H13Cl3F3N5O
Molecular Weight466.68 g/mol
Exact Mass465.01
IUPAC NameN-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCc1cc(C(F)(F)F)n(CC(=O)Nc2nn(Cc3c(Cl)cccc3Cl)cc2Cl)n1
InChIInChI=1S/C17H13Cl3F3N5O/c1-9-5-14(17(21,22)23)28(25-9)8-15(29)24-16-13(20)7-27(26-16)6-10-11(18)3-2-4-12(10)19/h2-5,7H,6,8H2,1H3,(H,24,26,29)
InChIKeyFVLBTBXNPNODHA-UHFFFAOYSA-N
XLogP5.05
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.68
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(5-methylpyrazol-1-yl)acetamide
CID 19522929
N-[4-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19524350
N-[4-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19530886
N-[1-[(3-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19521990
4-bromo-N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19268371
2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19524117
N-[4-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]acetamide
CID 19530288
N-[4-chloro-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-[3,6-dimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19503995
N-[4-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-2-phenylacetamide
CID 19396536
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 19525787
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19521910
N-[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide
CID 19519471

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 19522010) is N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide is Cc1cc(C(F)(F)F)n(CC(=O)Nc2nn(Cc3c(Cl)cccc3Cl)cc2Cl)n1.
What is the InChIKey of N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is FVLBTBXNPNODHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl3F3N5O/c1-9-5-14(17(21,22)23)28(25-9)8-15(29)24-16-13(20)7-27(26-16)6-10-11(18)3-2-4-12(10)19/h2-5,7H,6,8H2,1H3,(H,24,26,29).
What are the key properties of N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 466.68 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 19522010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).