N-(3,4-dichlorophenyl)-3-(trifluoromethyl)pyrazole-1-carboxamide

C11H6Cl2F3N3O — CID 2809205

IUPACN-(3,4-dichlorophenyl)-3-(trifluoromethyl)pyrazole-1-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C11H6Cl2F3N3O/c12-7-2-1-6(5-8(7)13)17-10(20)19-4-3-9(18-19)11(14,15)16/h1-5H,(H,17,20)
InChIKeyRSOLXNSIMCKZFI-UHFFFAOYSA-N
MW324.09 g/mol
LogP4.29
Rot. Bonds1

About N-(3,4-dichlorophenyl)-3-(trifluoromethyl)pyrazole-1-carboxamide

N-(3,4-dichlorophenyl)-3-(trifluoromethyl)pyrazole-1-carboxamide (PubChem CID 2809205) has the molecular formula C11H6Cl2F3N3O and a molecular weight of 324.09 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-3-(trifluoromethyl)pyrazole-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-3-(trifluoromethyl)pyrazole-1-carboxamide
PubChem CID2809205
Molecular FormulaC11H6Cl2F3N3O
Molecular Weight324.09 g/mol
Exact Mass322.98
IUPAC NameN-(3,4-dichlorophenyl)-3-(trifluoromethyl)pyrazole-1-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C11H6Cl2F3N3O/c12-7-2-1-6(5-8(7)13)17-10(20)19-4-3-9(18-19)11(14,15)16/h1-5H,(H,17,20)
InChIKeyRSOLXNSIMCKZFI-UHFFFAOYSA-N
XLogP4.29
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.09
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-N'-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]urea
CID 831809
N-(4-chlorophenyl)-N'-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]urea
CID 842009
N-(3,4-dichlorophenyl)-N'-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]urea
CID 897364
N-(3-chlorophenyl)-N'-{4-[3-(trifluoromethyl)-1H-pyrazol-1-yl]phenyl}urea
CID 2809257
1-(3-Chloro-2-fluorophenyl)-3-(3-pyrazol-1-ylpropyl)urea
CID 45821293
1-(3,4-Dichlorophenyl)-3-[1-(1,5-dimethylpyrazol-4-yl)ethyl]urea
CID 45877582
1-(4-Chloro-3-fluorophenyl)-3-(3-pyrazol-1-ylpropyl)urea
CID 47223568
1-(3,4-dichlorophenyl)-3-(2-(3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)urea
CID 71808085
1-(3,4-Dichlorophenyl)-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 2168127
4-((1H-pyrazol-1-yl)methyl)-N-(3,4-dichlorophenyl)piperidine-1-carboxamide
CID 71781174
4-(2-(1H-pyrazol-1-yl)ethyl)-N-(3,4-dichlorophenyl)piperazine-1-carboxamide
CID 71783837
1-(3-Chlorophenyl)-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]urea
CID 72041720

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-3-(trifluoromethyl)pyrazole-1-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-3-(trifluoromethyl)pyrazole-1-carboxamide (CID 2809205) is N-(3,4-dichlorophenyl)-3-(trifluoromethyl)pyrazole-1-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-3-(trifluoromethyl)pyrazole-1-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-3-(trifluoromethyl)pyrazole-1-carboxamide is O=C(Nc1ccc(Cl)c(Cl)c1)n1ccc(C(F)(F)F)n1.
What is the InChIKey of N-(3,4-dichlorophenyl)-3-(trifluoromethyl)pyrazole-1-carboxamide?
The InChIKey is RSOLXNSIMCKZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2F3N3O/c12-7-2-1-6(5-8(7)13)17-10(20)19-4-3-9(18-19)11(14,15)16/h1-5H,(H,17,20).
What are the key properties of N-(3,4-dichlorophenyl)-3-(trifluoromethyl)pyrazole-1-carboxamide?
N-(3,4-dichlorophenyl)-3-(trifluoromethyl)pyrazole-1-carboxamide has a molecular weight of 324.09 g/mol, XLogP of 4.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-3-(trifluoromethyl)pyrazole-1-carboxamide is sourced from PubChem (CID 2809205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).