2,6-dichloro-N-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide

C18H11Cl3F3N3O — CID 59547908

IUPAC2,6-dichloro-N-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide
SMILESO=C(Nc1ccn(Cc2cc(Cl)ccc2C(F)(F)F)n1)c1c(Cl)cccc1Cl
InChIInChI=1S/C18H11Cl3F3N3O/c19-11-4-5-12(18(22,23)24)10(8-11)9-27-7-6-15(26-27)25-17(28)16-13(20)2-1-3-14(16)21/h1-8H,9H2,(H,25,26,28)
InChIKeyJHASRDVRUXHPKT-UHFFFAOYSA-N
MW448.66 g/mol
LogP6.16
Rot. Bonds4

About 2,6-dichloro-N-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide

2,6-dichloro-N-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide (PubChem CID 59547908) has the molecular formula C18H11Cl3F3N3O and a molecular weight of 448.66 g/mol. Its IUPAC name is 2,6-dichloro-N-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide
PubChem CID59547908
Molecular FormulaC18H11Cl3F3N3O
Molecular Weight448.66 g/mol
Exact Mass446.99
IUPAC Name2,6-dichloro-N-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide
SMILESO=C(Nc1ccn(Cc2cc(Cl)ccc2C(F)(F)F)n1)c1c(Cl)cccc1Cl
InChIInChI=1S/C18H11Cl3F3N3O/c19-11-4-5-12(18(22,23)24)10(8-11)9-27-7-6-15(26-27)25-17(28)16-13(20)2-1-3-14(16)21/h1-8H,9H2,(H,25,26,28)
InChIKeyJHASRDVRUXHPKT-UHFFFAOYSA-N
XLogP6.16
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.66
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[[5-amino-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-2,6-difluorobenzamide
CID 59547994
2,6-dichloro-N-[1-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]pyrazol-3-yl]benzamide
CID 59548021
2,3-dichloro-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19347045
2,6-dichloro-N-[1-[[2-(1,1-difluorobut-2-enyl)-6-fluorophenyl]methyl]pyrazol-3-yl]benzamide
CID 91044700
2,6-dichloro-N-[1-[[4-iodo-4-methyl-6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]pyrazol-3-yl]benzamide
CID 162588013
CID 66770876
CID 66770876
N-[1-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]acetamide
CID 68643513
N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-3-(trifluoromethyl)benzamide
CID 19407133
disodium;[4-[[3-[(2,6-difluorobenzoyl)amino]pyrazol-1-yl]methyl]-3-(trifluoromethyl)phenyl] dihydrogen phosphate;hydride
CID 173016525
N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2,2,3,3,4,4,4-heptafluorobutanamide
CID 19345385
N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]pyridine-2-carboxamide
CID 35537616
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-3-(trifluoromethyl)benzamide
CID 19285757

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide?
The IUPAC name of 2,6-dichloro-N-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide (CID 59547908) is 2,6-dichloro-N-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide is O=C(Nc1ccn(Cc2cc(Cl)ccc2C(F)(F)F)n1)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide?
The InChIKey is JHASRDVRUXHPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl3F3N3O/c19-11-4-5-12(18(22,23)24)10(8-11)9-27-7-6-15(26-27)25-17(28)16-13(20)2-1-3-14(16)21/h1-8H,9H2,(H,25,26,28).
What are the key properties of 2,6-dichloro-N-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide?
2,6-dichloro-N-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide has a molecular weight of 448.66 g/mol, XLogP of 6.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 59547908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).