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4-chloro-N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

C18H15Cl3F3N5O — CID 19481509

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-chloro-N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCc1nn(Cc2ccc(Cl)cc2Cl)c(C)c1NC(=O)c1c(Cl)c(C(F)(F)F)nn1C
InChIInChI=1S/C18H15Cl3F3N5O/c1-8-14(9(2)29(26-8)7-10-4-5-11(19)6-12(10)20)25-17(30)15-13(21)16(18(22,23)24)27-28(15)3/h4-6H,7H2,1-3H3,(H,25,30)
InChIKeyCFZOWQBEQSMLRL-UHFFFAOYSA-N
MW480.71 g/mol
LogP5.51
Rot. Bonds4

About 4-chloro-N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

4-chloro-N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 19481509) has the molecular formula C18H15Cl3F3N5O and a molecular weight of 480.71 g/mol. Its IUPAC name is 4-chloro-N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID19481509
Molecular FormulaC18H15Cl3F3N5O
Molecular Weight480.71 g/mol
Exact Mass479.03
IUPAC Name4-chloro-N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCc1nn(Cc2ccc(Cl)cc2Cl)c(C)c1NC(=O)c1c(Cl)c(C(F)(F)F)nn1C
InChIInChI=1S/C18H15Cl3F3N5O/c1-8-14(9(2)29(26-8)7-10-4-5-11(19)6-12(10)20)25-17(30)15-13(21)16(18(22,23)24)27-28(15)3/h4-6H,7H2,1-3H3,(H,25,30)
InChIKeyCFZOWQBEQSMLRL-UHFFFAOYSA-N
XLogP5.51
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.71
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 19481509) is 4-chloro-N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is Cc1nn(Cc2ccc(Cl)cc2Cl)c(C)c1NC(=O)c1c(Cl)c(C(F)(F)F)nn1C.
What is the InChIKey of 4-chloro-N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is CFZOWQBEQSMLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl3F3N5O/c1-8-14(9(2)29(26-8)7-10-4-5-11(19)6-12(10)20)25-17(30)15-13(21)16(18(22,23)24)27-28(15)3/h4-6H,7H2,1-3H3,(H,25,30).
What are the key properties of 4-chloro-N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
4-chloro-N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 480.71 g/mol, XLogP of 5.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 19481509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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